[5-methyl-4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]methanol

C12H13NOS2 — CID 116867390

IUPAC[5-methyl-4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]methanol
SMILESCSc1ccc(-c2nc(CO)sc2C)cc1
InChIInChI=1S/C12H13NOS2/c1-8-12(13-11(7-14)16-8)9-3-5-10(15-2)6-4-9/h3-6,14H,7H2,1-2H3
InChIKeyNRUQHLMYCOXTBM-UHFFFAOYSA-N
MW251.38 g/mol
LogP3.33
Rot. Bonds3

About [5-methyl-4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]methanol

[5-methyl-4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]methanol (PubChem CID 116867390) has the molecular formula C12H13NOS2 and a molecular weight of 251.38 g/mol. Its IUPAC name is [5-methyl-4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]methanol.

Molecular Properties

Compound Name[5-methyl-4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]methanol
PubChem CID116867390
Molecular FormulaC12H13NOS2
Molecular Weight251.38 g/mol
Exact Mass251.04
IUPAC Name[5-methyl-4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]methanol
SMILESCSc1ccc(-c2nc(CO)sc2C)cc1
InChIInChI=1S/C12H13NOS2/c1-8-12(13-11(7-14)16-8)9-3-5-10(15-2)6-4-9/h3-6,14H,7H2,1-2H3
InChIKeyNRUQHLMYCOXTBM-UHFFFAOYSA-N
XLogP3.33
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.38
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [5-methyl-4-(4-methylsulfanylphenyl)-1,3-thiazol-2-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

4-[2-(hydroxymethyl)-5-methyl-1,3-thiazol-4-yl]phenol
CID 105477646
[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]methanol
CID 116867366
[4-(3-chloro-4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]methanol
CID 116867349
2-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]ethanol
CID 39351949
4-(4-chlorophenyl)-5-methyl-N-(4-methylsulfanylphenyl)-1,3-thiazol-2-amine
CID 118713967
5-methyl-2-[2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethyl]-4-phenyl-1,3-thiazole
CID 2129747
2-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
CID 9174038
2-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]ethanethioamide
CID 116868765
O-[[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]hydroxylamine
CID 82044166
4-(4-bromophenyl)-5-methyl-2-(2-methylpropylsulfanylmethyl)-1,3-thiazole
CID 79839547
2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-methylsulfanylphenyl)ethanone
CID 115789519
N-[[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]methyl]ethanamine
CID 62543522

Frequently Asked Questions

What is the IUPAC name of [5-methyl-4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]methanol?
The IUPAC name of [5-methyl-4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]methanol (CID 116867390) is [5-methyl-4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]methanol.
What is the SMILES notation for [5-methyl-4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]methanol?
The canonical SMILES for [5-methyl-4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]methanol is CSc1ccc(-c2nc(CO)sc2C)cc1.
What is the InChIKey of [5-methyl-4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]methanol?
The InChIKey is NRUQHLMYCOXTBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NOS2/c1-8-12(13-11(7-14)16-8)9-3-5-10(15-2)6-4-9/h3-6,14H,7H2,1-2H3.
What are the key properties of [5-methyl-4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]methanol?
[5-methyl-4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]methanol has a molecular weight of 251.38 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]methanol is sourced from PubChem (CID 116867390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).