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

C7H7ClN4OS2 — CID 80692731

IUPAC[4-chloro-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1,3-thiazol-5-yl]methanol
SMILESCc1nc(Sc2nc(Cl)c(CO)s2)n[nH]1
InChIInChI=1S/C7H7ClN4OS2/c1-3-9-6(12-11-3)15-7-10-5(8)4(2-13)14-7/h13H,2H2,1H3,(H,9,11,12)
InChIKeyVSHJCVBKAKDMGU-UHFFFAOYSA-N
MW262.75 g/mol
LogP1.87
Rot. Bonds3

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

[4-chloro-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1,3-thiazol-5-yl]methanol (PubChem CID 80692731) has the molecular formula C7H7ClN4OS2 and a molecular weight of 262.75 g/mol. Its IUPAC name is [4-chloro-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[4-chloro-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1,3-thiazol-5-yl]methanol
PubChem CID80692731
Molecular FormulaC7H7ClN4OS2
Molecular Weight262.75 g/mol
Exact Mass261.97
IUPAC Name[4-chloro-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1,3-thiazol-5-yl]methanol
SMILESCc1nc(Sc2nc(Cl)c(CO)s2)n[nH]1
InChIInChI=1S/C7H7ClN4OS2/c1-3-9-6(12-11-3)15-7-10-5(8)4(2-13)14-7/h13H,2H2,1H3,(H,9,11,12)
InChIKeyVSHJCVBKAKDMGU-UHFFFAOYSA-N
XLogP1.87
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.75
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-chloro-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1,3-thiazol-5-yl]methanol?
The IUPAC name of [4-chloro-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1,3-thiazol-5-yl]methanol (CID 80692731) is [4-chloro-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [4-chloro-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [4-chloro-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1,3-thiazol-5-yl]methanol is Cc1nc(Sc2nc(Cl)c(CO)s2)n[nH]1.
What is the InChIKey of [4-chloro-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1,3-thiazol-5-yl]methanol?
The InChIKey is VSHJCVBKAKDMGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClN4OS2/c1-3-9-6(12-11-3)15-7-10-5(8)4(2-13)14-7/h13H,2H2,1H3,(H,9,11,12).
What are the key properties of [4-chloro-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1,3-thiazol-5-yl]methanol?
[4-chloro-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1,3-thiazol-5-yl]methanol has a molecular weight of 262.75 g/mol, XLogP of 1.87, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 80692731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).