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CAY10685

CAT: 0013-GTR19191821-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19191821-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
CAY10685
CAS Number
1613116-16-7
Field of Research
Epigenetics & Chromatin
Purity
99.61% (May vary between batches)
Smiles
ClC=1C=CC (=CC1) C=2N=C (SC2) N (N=C3CCCC3) CC#C
Molecular Formula
C17H16ClN3S
Molecular Weight
329.85
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

4-(4-Chlorophenyl)-N-(cyclopentylideneamino)-N-prop-2-ynyl-1,3-thiazol-2-amine
CAS Number1613116-16-7
PubChem CID91971304
IUPAC Name4-(4-chlorophenyl)-N-(cyclopentylideneamino)-N-prop-2-ynyl-1,3-thiazol-2-amine
Molecular FormulaC17H16ClN3S
Molecular Weight329.8
XLogP4.5
Topological Polar Surface Area56.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count22
Formal Charge0
Complexity442
SMILES
C#CCN(C1=NC(=CS1)C2=CC=C(C=C2)Cl)N=C3CCCC3
InChI
InChI=1S/C17H16ClN3S/c1-2-11-21(20-15-5-3-4-6-15)17-19-16(12-22-17)13-7-9-14(18)10-8-13/h1,7-10,12H,3-6,11H2
InChIKey
JDLMHEOHMFFSDW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-(4-Chlorophenyl)-N-(cyclopentylideneamino)-N-prop-2-ynyl-1,3-thiazol-2-amine
CAS: 1613116-16-7
CID: 91971304
Formula: C17H16ClN3S
MW: 329.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight329.8
XLogP34.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass329.0753464
Monoisotopic Mass329.0753464
Topological Polar Surface Area56.7 Ų
Heavy Atom Count22
Formal Charge0
Complexity442
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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