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

C13H14ClNOS — CID 117099022

IUPAC[2-[(4-chlorophenyl)methyl]-5-ethyl-1,3-thiazol-4-yl]methanol
SMILESCCc1sc(Cc2ccc(Cl)cc2)nc1CO
InChIInChI=1S/C13H14ClNOS/c1-2-12-11(8-16)15-13(17-12)7-9-3-5-10(14)6-4-9/h3-6,16H,2,7-8H2,1H3
InChIKeyXDWXYMZSEXVRCU-UHFFFAOYSA-N
MW267.78 g/mol
LogP3.44
Rot. Bonds4

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

[2-[(4-chlorophenyl)methyl]-5-ethyl-1,3-thiazol-4-yl]methanol (PubChem CID 117099022) has the molecular formula C13H14ClNOS and a molecular weight of 267.78 g/mol. Its IUPAC name is [2-[(4-chlorophenyl)methyl]-5-ethyl-1,3-thiazol-4-yl]methanol.

Molecular Properties

Compound Name[2-[(4-chlorophenyl)methyl]-5-ethyl-1,3-thiazol-4-yl]methanol
PubChem CID117099022
Molecular FormulaC13H14ClNOS
Molecular Weight267.78 g/mol
Exact Mass267.05
IUPAC Name[2-[(4-chlorophenyl)methyl]-5-ethyl-1,3-thiazol-4-yl]methanol
SMILESCCc1sc(Cc2ccc(Cl)cc2)nc1CO
InChIInChI=1S/C13H14ClNOS/c1-2-12-11(8-16)15-13(17-12)7-9-3-5-10(14)6-4-9/h3-6,16H,2,7-8H2,1H3
InChIKeyXDWXYMZSEXVRCU-UHFFFAOYSA-N
XLogP3.44
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.78
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [2-[(4-chlorophenyl)methyl]-5-ethyl-1,3-thiazol-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

[2-[(4-chlorophenyl)methyl]-4-propan-2-yl-1,3-thiazol-5-yl]methanol
CID 82433809
[2-[(4-chlorophenyl)methyl]-4-cyclopropyl-1,3-thiazol-5-yl]methanol
CID 82436119
[2-[(4-chlorophenyl)methyl]-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine
CID 114362062
2-[(4-chlorophenyl)methyl]-4-ethyl-1,3-thiazole-5-carbohydrazide
CID 82428450
2-[2-[(4-chlorophenyl)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]acetonitrile
CID 82440119
2-[2-[(4-chlorophenyl)methyl]-4-propyl-1,3-thiazol-5-yl]propan-2-ol
CID 82431512
[2-(4-chloro-2-fluorophenyl)-5-ethyl-1,3-thiazol-4-yl]methanol
CID 122476710
2-[(4-chlorophenyl)methyl]-4-propyl-1,3-thiazole-5-carbohydrazide
CID 82431516
ethyl 2-[(4-chlorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxylate
CID 68982830
2-[2-[(4-chlorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]acetonitrile
CID 82425732
[4-ethyl-2-[(4-methoxyphenyl)methyl]-1,3-thiazol-5-yl]methanamine
CID 82428463
3-[4-ethyl-2-[(4-methoxyphenyl)methyl]-1,3-thiazol-5-yl]propanoic acid
CID 82428468

Frequently Asked Questions

What is the IUPAC name of [2-[(4-chlorophenyl)methyl]-5-ethyl-1,3-thiazol-4-yl]methanol?
The IUPAC name of [2-[(4-chlorophenyl)methyl]-5-ethyl-1,3-thiazol-4-yl]methanol (CID 117099022) is [2-[(4-chlorophenyl)methyl]-5-ethyl-1,3-thiazol-4-yl]methanol.
What is the SMILES notation for [2-[(4-chlorophenyl)methyl]-5-ethyl-1,3-thiazol-4-yl]methanol?
The canonical SMILES for [2-[(4-chlorophenyl)methyl]-5-ethyl-1,3-thiazol-4-yl]methanol is CCc1sc(Cc2ccc(Cl)cc2)nc1CO.
What is the InChIKey of [2-[(4-chlorophenyl)methyl]-5-ethyl-1,3-thiazol-4-yl]methanol?
The InChIKey is XDWXYMZSEXVRCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNOS/c1-2-12-11(8-16)15-13(17-12)7-9-3-5-10(14)6-4-9/h3-6,16H,2,7-8H2,1H3.
What are the key properties of [2-[(4-chlorophenyl)methyl]-5-ethyl-1,3-thiazol-4-yl]methanol?
[2-[(4-chlorophenyl)methyl]-5-ethyl-1,3-thiazol-4-yl]methanol has a molecular weight of 267.78 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-chlorophenyl)methyl]-5-ethyl-1,3-thiazol-4-yl]methanol is sourced from PubChem (CID 117099022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).