[4-chloro-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-1,3-thiazol-5-yl]methanol

C8H9ClN4OS2 — CID 80692337

IUPAC[4-chloro-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-1,3-thiazol-5-yl]methanol
SMILESCc1nnc(Sc2nc(Cl)c(CO)s2)n1C
InChIInChI=1S/C8H9ClN4OS2/c1-4-11-12-7(13(4)2)16-8-10-6(9)5(3-14)15-8/h14H,3H2,1-2H3
InChIKeyPAOQCPPSRRMXRC-UHFFFAOYSA-N
MW276.77 g/mol
LogP1.88
Rot. Bonds3

About [4-chloro-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-1,3-thiazol-5-yl]methanol

[4-chloro-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-1,3-thiazol-5-yl]methanol (PubChem CID 80692337) has the molecular formula C8H9ClN4OS2 and a molecular weight of 276.77 g/mol. Its IUPAC name is [4-chloro-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[4-chloro-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-1,3-thiazol-5-yl]methanol
PubChem CID80692337
Molecular FormulaC8H9ClN4OS2
Molecular Weight276.77 g/mol
Exact Mass275.99
IUPAC Name[4-chloro-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-1,3-thiazol-5-yl]methanol
SMILESCc1nnc(Sc2nc(Cl)c(CO)s2)n1C
InChIInChI=1S/C8H9ClN4OS2/c1-4-11-12-7(13(4)2)16-8-10-6(9)5(3-14)15-8/h14H,3H2,1-2H3
InChIKeyPAOQCPPSRRMXRC-UHFFFAOYSA-N
XLogP1.88
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [4-chloro-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-1,3-thiazol-5-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-chloro-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-1,3-thiazol-5-yl]methanol?
The IUPAC name of [4-chloro-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-1,3-thiazol-5-yl]methanol (CID 80692337) is [4-chloro-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [4-chloro-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [4-chloro-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-1,3-thiazol-5-yl]methanol is Cc1nnc(Sc2nc(Cl)c(CO)s2)n1C.
What is the InChIKey of [4-chloro-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-1,3-thiazol-5-yl]methanol?
The InChIKey is PAOQCPPSRRMXRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN4OS2/c1-4-11-12-7(13(4)2)16-8-10-6(9)5(3-14)15-8/h14H,3H2,1-2H3.
What are the key properties of [4-chloro-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-1,3-thiazol-5-yl]methanol?
[4-chloro-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-1,3-thiazol-5-yl]methanol has a molecular weight of 276.77 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 80692337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).