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

C12H12ClNOS — CID 22647624

IUPAC2-[2-(4-chlorophenyl)-5-methyl-1,3-thiazol-4-yl]ethanol
SMILESCc1sc(-c2ccc(Cl)cc2)nc1CCO
InChIInChI=1S/C12H12ClNOS/c1-8-11(6-7-15)14-12(16-8)9-2-4-10(13)5-3-9/h2-5,15H,6-7H2,1H3
InChIKeyJAFMHRGFLWNUKS-UHFFFAOYSA-N
MW253.75 g/mol
LogP3.31
Rot. Bonds3

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

2-[2-(4-chlorophenyl)-5-methyl-1,3-thiazol-4-yl]ethanol (PubChem CID 22647624) has the molecular formula C12H12ClNOS and a molecular weight of 253.75 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)-5-methyl-1,3-thiazol-4-yl]ethanol.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)-5-methyl-1,3-thiazol-4-yl]ethanol
PubChem CID22647624
Molecular FormulaC12H12ClNOS
Molecular Weight253.75 g/mol
Exact Mass253.03
IUPAC Name2-[2-(4-chlorophenyl)-5-methyl-1,3-thiazol-4-yl]ethanol
SMILESCc1sc(-c2ccc(Cl)cc2)nc1CCO
InChIInChI=1S/C12H12ClNOS/c1-8-11(6-7-15)14-12(16-8)9-2-4-10(13)5-3-9/h2-5,15H,6-7H2,1H3
InChIKeyJAFMHRGFLWNUKS-UHFFFAOYSA-N
XLogP3.31
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.75
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-methyl-2-(4-phenylphenyl)-1,3-thiazol-4-yl]ethanol
CID 22633505
5-methyl-2-(4-phenylphenyl)-4-propyl-1,3-thiazole
CID 142193708
2-(4-chlorophenyl)-5-methyl-4-phenyl-1,3-thiazole
CID 3617286
1-[2-(4-chlorophenyl)-4-propyl-1,3-thiazol-5-yl]ethanone
CID 82431610
4-chlorobenzenecarbothioamide;3-chlorobutan-2-one;4-(chloromethyl)-2-(4-chlorophenyl)-5-methyl-1,3-thiazole;2-(4-chlorophenyl)-4,5-dimethyl-1,3-thiazole
CID 158125027
2-(4-chlorophenyl)-5-ethyl-4-methyl-1,3-thiazole
CID 58936530
2-[2-[5-(bromomethyl)-2-methoxyphenyl]-5-methyl-1,3-thiazol-4-yl]ethanol
CID 126832340
4-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-N-ethylaniline
CID 167848526
2-[2-(4-chlorophenyl)-5-methyl-1,3-thiazol-4-yl]-N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]acetamide
CID 22396168
4-benzyl-5-butyl-2-(4-chlorophenyl)-1,3-thiazole
CID 46862434
4-(bromomethyl)-2-(4-chlorophenyl)-1,3-thiazole-5-carboxylic acid
CID 58387723
(1R)-1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethanol
CID 6923600

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)-5-methyl-1,3-thiazol-4-yl]ethanol?
The IUPAC name of 2-[2-(4-chlorophenyl)-5-methyl-1,3-thiazol-4-yl]ethanol (CID 22647624) is 2-[2-(4-chlorophenyl)-5-methyl-1,3-thiazol-4-yl]ethanol.
What is the SMILES notation for 2-[2-(4-chlorophenyl)-5-methyl-1,3-thiazol-4-yl]ethanol?
The canonical SMILES for 2-[2-(4-chlorophenyl)-5-methyl-1,3-thiazol-4-yl]ethanol is Cc1sc(-c2ccc(Cl)cc2)nc1CCO.
What is the InChIKey of 2-[2-(4-chlorophenyl)-5-methyl-1,3-thiazol-4-yl]ethanol?
The InChIKey is JAFMHRGFLWNUKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNOS/c1-8-11(6-7-15)14-12(16-8)9-2-4-10(13)5-3-9/h2-5,15H,6-7H2,1H3.
What are the key properties of 2-[2-(4-chlorophenyl)-5-methyl-1,3-thiazol-4-yl]ethanol?
2-[2-(4-chlorophenyl)-5-methyl-1,3-thiazol-4-yl]ethanol has a molecular weight of 253.75 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)-5-methyl-1,3-thiazol-4-yl]ethanol is sourced from PubChem (CID 22647624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).