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

C11H10ClNOS — CID 115043402

IUPAC2-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]ethanol
SMILESOCCc1nc(-c2cccc(Cl)c2)cs1
InChIInChI=1S/C11H10ClNOS/c12-9-3-1-2-8(6-9)10-7-15-11(13-10)4-5-14/h1-3,6-7,14H,4-5H2
InChIKeyOAFJZZBZAFBGDO-UHFFFAOYSA-N
MW239.73 g/mol
LogP3.00
Rot. Bonds3

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

2-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]ethanol (PubChem CID 115043402) has the molecular formula C11H10ClNOS and a molecular weight of 239.73 g/mol. Its IUPAC name is 2-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]ethanol.

Molecular Properties

Compound Name2-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]ethanol
PubChem CID115043402
Molecular FormulaC11H10ClNOS
Molecular Weight239.73 g/mol
Exact Mass239.02
IUPAC Name2-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]ethanol
SMILESOCCc1nc(-c2cccc(Cl)c2)cs1
InChIInChI=1S/C11H10ClNOS/c12-9-3-1-2-8(6-9)10-7-15-11(13-10)4-5-14/h1-3,6-7,14H,4-5H2
InChIKeyOAFJZZBZAFBGDO-UHFFFAOYSA-N
XLogP3.00
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.73
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]propan-1-amine
CID 62668340
N-[[4-(3-chlorophenyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 62544339
N-[[4-(3-chlorophenyl)-1,3-thiazol-2-yl]methyl]-2-methylpropan-2-amine
CID 62542554
3-[4-(3-methylphenyl)-1,3-thiazol-2-yl]propan-1-ol
CID 115039739
4-(3-chlorophenyl)-2-[(4-methoxyphenyl)methyl]-1,3-thiazole
CID 84567479
5-[2-(2-hydroxyethyl)-1,3-thiazol-4-yl]-1,3-dihydrobenzimidazol-2-one
CID 116867771
2-[4-(4-ethylsulfanylphenyl)-1,3-thiazol-2-yl]ethanol
CID 116867767
4-(3-chlorophenyl)-2-(4-methylphenyl)-1,3-thiazole
CID 150697593
2-[4-(4-propylphenyl)-1,3-thiazol-2-yl]ethanol
CID 94267224
2-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]butan-2-amine
CID 61337270
1-(3-chlorophenyl)-3-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]urea
CID 110317792
2-[2-(3-chlorophenyl)pyrimidin-5-yl]ethanol
CID 67322383

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]ethanol?
The IUPAC name of 2-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]ethanol (CID 115043402) is 2-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]ethanol.
What is the SMILES notation for 2-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]ethanol?
The canonical SMILES for 2-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]ethanol is OCCc1nc(-c2cccc(Cl)c2)cs1.
What is the InChIKey of 2-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]ethanol?
The InChIKey is OAFJZZBZAFBGDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNOS/c12-9-3-1-2-8(6-9)10-7-15-11(13-10)4-5-14/h1-3,6-7,14H,4-5H2.
What are the key properties of 2-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]ethanol?
2-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]ethanol has a molecular weight of 239.73 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]ethanol is sourced from PubChem (CID 115043402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).