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

C12H10N4OS — CID 82221219

IUPAC[1-(4-phenyl-1,3-thiazol-2-yl)triazol-4-yl]methanol
SMILESOCc1cn(-c2nc(-c3ccccc3)cs2)nn1
InChIInChI=1S/C12H10N4OS/c17-7-10-6-16(15-14-10)12-13-11(8-18-12)9-4-2-1-3-5-9/h1-6,8,17H,7H2
InChIKeyUQOYLXXZJPZZFJ-UHFFFAOYSA-N
MW258.31 g/mol
LogP1.88
Rot. Bonds3

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

[1-(4-phenyl-1,3-thiazol-2-yl)triazol-4-yl]methanol (PubChem CID 82221219) has the molecular formula C12H10N4OS and a molecular weight of 258.31 g/mol. Its IUPAC name is [1-(4-phenyl-1,3-thiazol-2-yl)triazol-4-yl]methanol.

Molecular Properties

Compound Name[1-(4-phenyl-1,3-thiazol-2-yl)triazol-4-yl]methanol
PubChem CID82221219
Molecular FormulaC12H10N4OS
Molecular Weight258.31 g/mol
Exact Mass258.06
IUPAC Name[1-(4-phenyl-1,3-thiazol-2-yl)triazol-4-yl]methanol
SMILESOCc1cn(-c2nc(-c3ccccc3)cs2)nn1
InChIInChI=1S/C12H10N4OS/c17-7-10-6-16(15-14-10)12-13-11(8-18-12)9-4-2-1-3-5-9/h1-6,8,17H,7H2
InChIKeyUQOYLXXZJPZZFJ-UHFFFAOYSA-N
XLogP1.88
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.31
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [1-(4-phenyl-1,3-thiazol-2-yl)triazol-4-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

Related Compounds

3-[1-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]triazol-4-yl]propanoic acid
CID 82369592
4-phenyl-2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]-1,3-thiazole
CID 14573306
[1-(4-phenyl-1,3-thiazol-2-yl)-5-propan-2-yltriazol-4-yl]methanol
CID 82221204
[(2S)-1-(4-phenyl-1,3-thiazol-2-yl)pyrrolidin-2-yl]methanol
CID 133371791
[5-cyclobutyl-1-(4-phenyl-1,3-thiazol-2-yl)triazol-4-yl]methanamine
CID 94962689
4-(4-chlorophenyl)-2-(4-thiophen-2-yltriazol-1-yl)-1,3-thiazole
CID 52912871
2-(4-ethylpiperazin-1-yl)-4-phenyl-1,3-thiazole
CID 102103813
2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]ethanamine
CID 82167588
4-phenyl-2-(4-prop-1-en-2-ylpiperazin-1-yl)-1,3-thiazole
CID 163418785
4-phenyl-1-[4-(4-phenyl-1,3-thiazol-2-yl)-1,3-thiazol-2-yl]azetidin-2-one
CID 10318180
1-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 46907711
5-ethyl-1-(4-phenyl-1,3-thiazol-2-yl)triazole-4-carbonitrile
CID 82221199

Frequently Asked Questions

What is the IUPAC name of [1-(4-phenyl-1,3-thiazol-2-yl)triazol-4-yl]methanol?
The IUPAC name of [1-(4-phenyl-1,3-thiazol-2-yl)triazol-4-yl]methanol (CID 82221219) is [1-(4-phenyl-1,3-thiazol-2-yl)triazol-4-yl]methanol.
What is the SMILES notation for [1-(4-phenyl-1,3-thiazol-2-yl)triazol-4-yl]methanol?
The canonical SMILES for [1-(4-phenyl-1,3-thiazol-2-yl)triazol-4-yl]methanol is OCc1cn(-c2nc(-c3ccccc3)cs2)nn1.
What is the InChIKey of [1-(4-phenyl-1,3-thiazol-2-yl)triazol-4-yl]methanol?
The InChIKey is UQOYLXXZJPZZFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4OS/c17-7-10-6-16(15-14-10)12-13-11(8-18-12)9-4-2-1-3-5-9/h1-6,8,17H,7H2.
What are the key properties of [1-(4-phenyl-1,3-thiazol-2-yl)triazol-4-yl]methanol?
[1-(4-phenyl-1,3-thiazol-2-yl)triazol-4-yl]methanol has a molecular weight of 258.31 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-phenyl-1,3-thiazol-2-yl)triazol-4-yl]methanol is sourced from PubChem (CID 82221219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).