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

C10H13ClN4OS — CID 80692812

IUPAC[4-chloro-2-(3,5-diethyl-1,2,4-triazol-1-yl)-1,3-thiazol-5-yl]methanol
SMILESCCc1nc(CC)n(-c2nc(Cl)c(CO)s2)n1
InChIInChI=1S/C10H13ClN4OS/c1-3-7-12-8(4-2)15(14-7)10-13-9(11)6(5-16)17-10/h16H,3-5H2,1-2H3
InChIKeyKBYDUTZAVHJJCR-UHFFFAOYSA-N
MW272.76 g/mol
LogP1.99
Rot. Bonds4

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

[4-chloro-2-(3,5-diethyl-1,2,4-triazol-1-yl)-1,3-thiazol-5-yl]methanol (PubChem CID 80692812) has the molecular formula C10H13ClN4OS and a molecular weight of 272.76 g/mol. Its IUPAC name is [4-chloro-2-(3,5-diethyl-1,2,4-triazol-1-yl)-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[4-chloro-2-(3,5-diethyl-1,2,4-triazol-1-yl)-1,3-thiazol-5-yl]methanol
PubChem CID80692812
Molecular FormulaC10H13ClN4OS
Molecular Weight272.76 g/mol
Exact Mass272.05
IUPAC Name[4-chloro-2-(3,5-diethyl-1,2,4-triazol-1-yl)-1,3-thiazol-5-yl]methanol
SMILESCCc1nc(CC)n(-c2nc(Cl)c(CO)s2)n1
InChIInChI=1S/C10H13ClN4OS/c1-3-7-12-8(4-2)15(14-7)10-13-9(11)6(5-16)17-10/h16H,3-5H2,1-2H3
InChIKeyKBYDUTZAVHJJCR-UHFFFAOYSA-N
XLogP1.99
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.76
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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-(1,2,4-triazol-1-yl)-1,3-thiazol-5-yl]methanol
CID 80692914
[4-Chloro-2-(3,5-dimethyl-1,2,4-triazol-1-yl)-1,3-thiazol-5-yl]methanol
CID 80693549

Frequently Asked Questions

What is the IUPAC name of [4-chloro-2-(3,5-diethyl-1,2,4-triazol-1-yl)-1,3-thiazol-5-yl]methanol?
The IUPAC name of [4-chloro-2-(3,5-diethyl-1,2,4-triazol-1-yl)-1,3-thiazol-5-yl]methanol (CID 80692812) is [4-chloro-2-(3,5-diethyl-1,2,4-triazol-1-yl)-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [4-chloro-2-(3,5-diethyl-1,2,4-triazol-1-yl)-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [4-chloro-2-(3,5-diethyl-1,2,4-triazol-1-yl)-1,3-thiazol-5-yl]methanol is CCc1nc(CC)n(-c2nc(Cl)c(CO)s2)n1.
What is the InChIKey of [4-chloro-2-(3,5-diethyl-1,2,4-triazol-1-yl)-1,3-thiazol-5-yl]methanol?
The InChIKey is KBYDUTZAVHJJCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN4OS/c1-3-7-12-8(4-2)15(14-7)10-13-9(11)6(5-16)17-10/h16H,3-5H2,1-2H3.
What are the key properties of [4-chloro-2-(3,5-diethyl-1,2,4-triazol-1-yl)-1,3-thiazol-5-yl]methanol?
[4-chloro-2-(3,5-diethyl-1,2,4-triazol-1-yl)-1,3-thiazol-5-yl]methanol has a molecular weight of 272.76 g/mol, XLogP of 1.99, 4 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-diethyl-1,2,4-triazol-1-yl)-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 80692812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).