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

C6H6N4OS — CID 18411537

IUPAC[2-(1,2,4-triazol-1-yl)-1,3-thiazol-4-yl]methanol
SMILESOCc1csc(-n2cncn2)n1
InChIInChI=1S/C6H6N4OS/c11-1-5-2-12-6(9-5)10-4-7-3-8-10/h2-4,11H,1H2
InChIKeyBWTQJGCGAWHVMG-UHFFFAOYSA-N
MW182.21 g/mol
LogP0.22
Rot. Bonds2

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

[2-(1,2,4-triazol-1-yl)-1,3-thiazol-4-yl]methanol (PubChem CID 18411537) has the molecular formula C6H6N4OS and a molecular weight of 182.21 g/mol. Its IUPAC name is [2-(1,2,4-triazol-1-yl)-1,3-thiazol-4-yl]methanol.

Molecular Properties

Compound Name[2-(1,2,4-triazol-1-yl)-1,3-thiazol-4-yl]methanol
PubChem CID18411537
Molecular FormulaC6H6N4OS
Molecular Weight182.21 g/mol
Exact Mass182.03
IUPAC Name[2-(1,2,4-triazol-1-yl)-1,3-thiazol-4-yl]methanol
SMILESOCc1csc(-n2cncn2)n1
InChIInChI=1S/C6H6N4OS/c11-1-5-2-12-6(9-5)10-4-7-3-8-10/h2-4,11H,1H2
InChIKeyBWTQJGCGAWHVMG-UHFFFAOYSA-N
XLogP0.22
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.21
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(1,2,4-triazol-1-yl)-1,3-thiazol-4-yl]methanol?
The IUPAC name of [2-(1,2,4-triazol-1-yl)-1,3-thiazol-4-yl]methanol (CID 18411537) is [2-(1,2,4-triazol-1-yl)-1,3-thiazol-4-yl]methanol.
What is the SMILES notation for [2-(1,2,4-triazol-1-yl)-1,3-thiazol-4-yl]methanol?
The canonical SMILES for [2-(1,2,4-triazol-1-yl)-1,3-thiazol-4-yl]methanol is OCc1csc(-n2cncn2)n1.
What is the InChIKey of [2-(1,2,4-triazol-1-yl)-1,3-thiazol-4-yl]methanol?
The InChIKey is BWTQJGCGAWHVMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4OS/c11-1-5-2-12-6(9-5)10-4-7-3-8-10/h2-4,11H,1H2.
What are the key properties of [2-(1,2,4-triazol-1-yl)-1,3-thiazol-4-yl]methanol?
[2-(1,2,4-triazol-1-yl)-1,3-thiazol-4-yl]methanol has a molecular weight of 182.21 g/mol, XLogP of 0.22, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,2,4-triazol-1-yl)-1,3-thiazol-4-yl]methanol is sourced from PubChem (CID 18411537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).