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CPTH2 50mg

CAT: 0628-A22409-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0628-A22409-50Size:50 mg
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CAS Number
357649-93-5

Chemical Information

4-(4-Chlorophenyl)-2-(2-cyclopentylidenehydrazinyl)-1,3-thiazole

Cyclopentylidene-[4-(4-chlorophenyl)thiazol-2-yl]hydrazone is a member of the class of 1,3-thiazole bearing 2-cyclopentylidenehydrazino and 4-chlorophenyl substituents at positions 2 and 4 respectively. It has a role as an EC 2.3.1.48 (histone acetyltransferase) inhibitor. It is a member of 1,3-thiazoles, a hydrazone and a member of monochlorobenzenes.

CAS Number357649-93-5
PubChem CID25193530
IUPAC Name4-(4-chlorophenyl)-N-(cyclopentylideneamino)-1,3-thiazol-2-amine
Molecular FormulaC14H14ClN3S
Molecular Weight291.8
XLogP4.2
Topological Polar Surface Area65.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count19
Formal Charge0
Complexity321
SMILES
C1CCC(=NNC2=NC(=CS2)C3=CC=C(C=C3)Cl)C1
InChI
InChI=1S/C14H14ClN3S/c15-11-7-5-10(6-8-11)13-9-19-14(16-13)18-17-12-3-1-2-4-12/h5-9H,1-4H2,(H,16,18)
InChIKey
YYTHPXHGWSAKIZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-(4-Chlorophenyl)-2-(2-cyclopentylidenehydrazinyl)-1,3-thiazole
CAS: 357649-93-5
CID: 25193530
Formula: C14H14ClN3S
MW: 291.8
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight291.8
XLogP34.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass291.0596963
Monoisotopic Mass291.0596963
Topological Polar Surface Area65.5 Ų
Heavy Atom Count19
Formal Charge0
Complexity321
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

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MBS516394-01CPTH2
IJD89991-01CPTH2 hydrochloride
HY-W013274ACPTH2 (hydrochloride)

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