2-(3-chlorophenyl)-4-(2-hydroxyethyl)-1,3-thiazole-5-carboxylic acid

C12H10ClNO3S — CID 68808915

IUPAC2-(3-chlorophenyl)-4-(2-hydroxyethyl)-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1sc(-c2cccc(Cl)c2)nc1CCO
InChIInChI=1S/C12H10ClNO3S/c13-8-3-1-2-7(6-8)11-14-9(4-5-15)10(18-11)12(16)17/h1-3,6,15H,4-5H2,(H,16,17)
InChIKeyNCHODJVDVYFXPT-UHFFFAOYSA-N
MW283.74 g/mol
LogP2.70
Rot. Bonds4

About 2-(3-chlorophenyl)-4-(2-hydroxyethyl)-1,3-thiazole-5-carboxylic acid

2-(3-chlorophenyl)-4-(2-hydroxyethyl)-1,3-thiazole-5-carboxylic acid (PubChem CID 68808915) has the molecular formula C12H10ClNO3S and a molecular weight of 283.74 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-4-(2-hydroxyethyl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(3-chlorophenyl)-4-(2-hydroxyethyl)-1,3-thiazole-5-carboxylic acid
PubChem CID68808915
Molecular FormulaC12H10ClNO3S
Molecular Weight283.74 g/mol
Exact Mass283.01
IUPAC Name2-(3-chlorophenyl)-4-(2-hydroxyethyl)-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1sc(-c2cccc(Cl)c2)nc1CCO
InChIInChI=1S/C12H10ClNO3S/c13-8-3-1-2-7(6-8)11-14-9(4-5-15)10(18-11)12(16)17/h1-3,6,15H,4-5H2,(H,16,17)
InChIKeyNCHODJVDVYFXPT-UHFFFAOYSA-N
XLogP2.70
TPSA70.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.74
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-chlorophenyl)-4-cyclopropyl-1,3-thiazole-5-carboxylic acid
CID 98022837
2-(3-chloro-4-methylphenyl)-4-propyl-1,3-thiazole-5-carboxylic acid
CID 106817947
4-(bromomethyl)-2-(4-chlorophenyl)-1,3-thiazole-5-carboxylic acid
CID 58387723
2-(3-chlorophenyl)-N-ethyl-N-(2-hydroxyethyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 78855413
ethyl 2-(3-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 50997801
methyl 2-[5-bromo-2-(3-chlorophenyl)-1,3-thiazol-4-yl]acetate
CID 148550488
4-[(4-chlorophenyl)methyl]-2-(2-chloro-4-pyridinyl)-1,3-thiazole-5-carboxylic acid
CID 86667472
1-[4-[2-(3-chlorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperazin-1-yl]ethanone
CID 34839345
4-(3-chlorophenyl)-2-(2-methoxyethyl)-1,3-thiazole-5-carboxylic acid
CID 82226830
4-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]-2-methyl-1,3-thiazole-5-carboxylic acid
CID 70919717
3-(6-chloro-1,3-benzothiazol-2-yl)benzoic acid
CID 79528960
2-(3-chlorophenyl)-N,N-bis(2-methoxyethyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 55439249

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-4-(2-hydroxyethyl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-(3-chlorophenyl)-4-(2-hydroxyethyl)-1,3-thiazole-5-carboxylic acid (CID 68808915) is 2-(3-chlorophenyl)-4-(2-hydroxyethyl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-(3-chlorophenyl)-4-(2-hydroxyethyl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-(3-chlorophenyl)-4-(2-hydroxyethyl)-1,3-thiazole-5-carboxylic acid is O=C(O)c1sc(-c2cccc(Cl)c2)nc1CCO.
What is the InChIKey of 2-(3-chlorophenyl)-4-(2-hydroxyethyl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is NCHODJVDVYFXPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO3S/c13-8-3-1-2-7(6-8)11-14-9(4-5-15)10(18-11)12(16)17/h1-3,6,15H,4-5H2,(H,16,17).
What are the key properties of 2-(3-chlorophenyl)-4-(2-hydroxyethyl)-1,3-thiazole-5-carboxylic acid?
2-(3-chlorophenyl)-4-(2-hydroxyethyl)-1,3-thiazole-5-carboxylic acid has a molecular weight of 283.74 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-4-(2-hydroxyethyl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 68808915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).