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

C8H9ClN4OS — CID 80693549

IUPAC[4-chloro-2-(3,5-dimethyl-1,2,4-triazol-1-yl)-1,3-thiazol-5-yl]methanol
SMILESCc1nc(C)n(-c2nc(Cl)c(CO)s2)n1
InChIInChI=1S/C8H9ClN4OS/c1-4-10-5(2)13(12-4)8-11-7(9)6(3-14)15-8/h14H,3H2,1-2H3
InChIKeyRACJUPLEIFLLQP-UHFFFAOYSA-N
MW244.71 g/mol
LogP1.49
Rot. Bonds2

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

[4-chloro-2-(3,5-dimethyl-1,2,4-triazol-1-yl)-1,3-thiazol-5-yl]methanol (PubChem CID 80693549) has the molecular formula C8H9ClN4OS and a molecular weight of 244.71 g/mol. Its IUPAC name is [4-chloro-2-(3,5-dimethyl-1,2,4-triazol-1-yl)-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[4-chloro-2-(3,5-dimethyl-1,2,4-triazol-1-yl)-1,3-thiazol-5-yl]methanol
PubChem CID80693549
Molecular FormulaC8H9ClN4OS
Molecular Weight244.71 g/mol
Exact Mass244.02
IUPAC Name[4-chloro-2-(3,5-dimethyl-1,2,4-triazol-1-yl)-1,3-thiazol-5-yl]methanol
SMILESCc1nc(C)n(-c2nc(Cl)c(CO)s2)n1
InChIInChI=1S/C8H9ClN4OS/c1-4-10-5(2)13(12-4)8-11-7(9)6(3-14)15-8/h14H,3H2,1-2H3
InChIKeyRACJUPLEIFLLQP-UHFFFAOYSA-N
XLogP1.49
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.71
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

4-Chloro-5-(chloromethyl)-2-(3,5-diethyl-1,2,4-triazol-1-yl)-1,3-thiazole
CID 80687595
4-Chloro-5-(chloromethyl)-2-(3,5-dimethyl-1,2,4-triazol-1-yl)-1,3-thiazole
CID 80688423
4-Chloro-2-(3,5-diethyl-1,2,4-triazol-1-yl)-1,3-thiazole-5-carboxylic acid
CID 80692183
[4-Chloro-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-1,3-thiazol-5-yl]methanol
CID 80692337
[4-Chloro-2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1,3-thiazol-5-yl]methanol
CID 80692440
4-Chloro-2-(3,5-dimethyl-1,2,4-triazol-1-yl)-1,3-thiazole-5-carboxylic acid
CID 80692673
[4-chloro-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1,3-thiazol-5-yl]methanol
CID 80692731
[4-Chloro-2-(3,5-diethyl-1,2,4-triazol-1-yl)-1,3-thiazol-5-yl]methanol
CID 80692812
[4-Chloro-2-(1,2,4-triazol-1-yl)-1,3-thiazol-5-yl]methanol
CID 80692914

Frequently Asked Questions

What is the IUPAC name of [4-chloro-2-(3,5-dimethyl-1,2,4-triazol-1-yl)-1,3-thiazol-5-yl]methanol?
The IUPAC name of [4-chloro-2-(3,5-dimethyl-1,2,4-triazol-1-yl)-1,3-thiazol-5-yl]methanol (CID 80693549) is [4-chloro-2-(3,5-dimethyl-1,2,4-triazol-1-yl)-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [4-chloro-2-(3,5-dimethyl-1,2,4-triazol-1-yl)-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [4-chloro-2-(3,5-dimethyl-1,2,4-triazol-1-yl)-1,3-thiazol-5-yl]methanol is Cc1nc(C)n(-c2nc(Cl)c(CO)s2)n1.
What is the InChIKey of [4-chloro-2-(3,5-dimethyl-1,2,4-triazol-1-yl)-1,3-thiazol-5-yl]methanol?
The InChIKey is RACJUPLEIFLLQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN4OS/c1-4-10-5(2)13(12-4)8-11-7(9)6(3-14)15-8/h14H,3H2,1-2H3.
What are the key properties of [4-chloro-2-(3,5-dimethyl-1,2,4-triazol-1-yl)-1,3-thiazol-5-yl]methanol?
[4-chloro-2-(3,5-dimethyl-1,2,4-triazol-1-yl)-1,3-thiazol-5-yl]methanol has a molecular weight of 244.71 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-2-(3,5-dimethyl-1,2,4-triazol-1-yl)-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 80693549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).