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MI-1

CAT: 0926-ISA31107-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0926-ISA31107-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
433311-07-0
MDL Number
MFCD03268791
Smiles
CC1 (CN=C (S1) N2CCN (CC2) C3=C4C5=C (CCCC5) SC4=NC=N3) C
Molecular Formula
C19H25N5S2
Molecular Weight
387.6 g/mol
Controlled
No

Chemical Information

4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine
CAS Number433311-07-0
PubChem CID1323703
IUPAC Name4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine
Molecular FormulaC19H25N5S2
Molecular Weight387.6
XLogP3.8
Topological Polar Surface Area98.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Heavy Atom Count26
Formal Charge0
Complexity560
SMILES
CC1(CN=C(S1)N2CCN(CC2)C3=C4C5=C(CCCC5)SC4=NC=N3)C
InChI
InChI=1S/C19H25N5S2/c1-19(2)11-20-18(26-19)24-9-7-23(8-10-24)16-15-13-5-3-4-6-14(13)25-17(15)22-12-21-16/h12H,3-11H2,1-2H3
InChIKey
MNSXQGKLDTVOLP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine
CAS: 433311-07-0
CID: 1323703
Formula: C19H25N5S2
MW: 387.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight387.6
XLogP33.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Exact Mass387.15513817
Monoisotopic Mass387.15513817
Topological Polar Surface Area98.2 Ų
Heavy Atom Count26
Formal Charge0
Complexity560
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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