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

C12H12ClNO2S — CID 116867349

IUPAC[4-(3-chloro-4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]methanol
SMILESCOc1ccc(-c2nc(CO)sc2C)cc1Cl
InChIInChI=1S/C12H12ClNO2S/c1-7-12(14-11(6-15)17-7)8-3-4-10(16-2)9(13)5-8/h3-5,15H,6H2,1-2H3
InChIKeyFYLAZUCKFXSEQX-UHFFFAOYSA-N
MW269.75 g/mol
LogP3.27
Rot. Bonds3

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

[4-(3-chloro-4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]methanol (PubChem CID 116867349) has the molecular formula C12H12ClNO2S and a molecular weight of 269.75 g/mol. Its IUPAC name is [4-(3-chloro-4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]methanol.

Molecular Properties

Compound Name[4-(3-chloro-4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]methanol
PubChem CID116867349
Molecular FormulaC12H12ClNO2S
Molecular Weight269.75 g/mol
Exact Mass269.03
IUPAC Name[4-(3-chloro-4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]methanol
SMILESCOc1ccc(-c2nc(CO)sc2C)cc1Cl
InChIInChI=1S/C12H12ClNO2S/c1-7-12(14-11(6-15)17-7)8-3-4-10(16-2)9(13)5-8/h3-5,15H,6H2,1-2H3
InChIKeyFYLAZUCKFXSEQX-UHFFFAOYSA-N
XLogP3.27
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.75
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-(3-chloro-4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]methanol with MolForge

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Related Compounds

3-amino-N-[4-(3-chloro-4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]propanamide
CID 39183232
4-[2-(hydroxymethyl)-5-methyl-1,3-thiazol-4-yl]phenol
CID 105477646
O-[2-[4-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]ethyl]hydroxylamine
CID 39403548
2-[4-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-N-methylethanamine
CID 82103000
2-[(3,4-dimethoxyphenyl)methyl]-4-(4-methoxyphenyl)-5-methyl-1,3-thiazole
CID 31264291
4-(3-chloro-4-methoxyphenyl)-2-methyl-1,3-thiazole-5-carboxylic acid
CID 94703596
[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]methanol
CID 116867366
4-(3,4-dimethoxyphenyl)-5-methyl-2-(2-phenylethyl)-1,3-thiazole
CID 52794423
[5-methyl-4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]methanol
CID 116867390
5-(3-chloro-4-methoxyphenyl)-2-methyl-1,3-thiazol-4-amine
CID 82482114
2-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]ethanol
CID 39351949
[5-bromo-2-(3-chloro-4-methoxyphenyl)-1-methylimidazol-4-yl]methanol
CID 84609235

Frequently Asked Questions

What is the IUPAC name of [4-(3-chloro-4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]methanol?
The IUPAC name of [4-(3-chloro-4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]methanol (CID 116867349) is [4-(3-chloro-4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]methanol.
What is the SMILES notation for [4-(3-chloro-4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]methanol?
The canonical SMILES for [4-(3-chloro-4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]methanol is COc1ccc(-c2nc(CO)sc2C)cc1Cl.
What is the InChIKey of [4-(3-chloro-4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]methanol?
The InChIKey is FYLAZUCKFXSEQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNO2S/c1-7-12(14-11(6-15)17-7)8-3-4-10(16-2)9(13)5-8/h3-5,15H,6H2,1-2H3.
What are the key properties of [4-(3-chloro-4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]methanol?
[4-(3-chloro-4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]methanol has a molecular weight of 269.75 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-chloro-4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]methanol is sourced from PubChem (CID 116867349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).