2-[(5R)-2-(3-chlorophenyl)-4-oxo-1,3-thiazol-5-yl]acetate

C11H7ClNO3S- — CID 6930328

IUPAC2-[(5R)-2-(3-chlorophenyl)-4-oxo-1,3-thiazol-5-yl]acetate
SMILESO=C([O-])C[C@H]1SC(c2cccc(Cl)c2)=NC1=O
InChIInChI=1S/C11H8ClNO3S/c12-7-3-1-2-6(4-7)11-13-10(16)8(17-11)5-9(14)15/h1-4,8H,5H2,(H,14,15)/p-1/t8-/m1/s1
InChIKeyFHLYYJKNYWPGNE-MRVPVSSYSA-M
MW268.70 g/mol
LogP0.87
Rot. Bonds3

About 2-[(5R)-2-(3-chlorophenyl)-4-oxo-1,3-thiazol-5-yl]acetate

2-[(5R)-2-(3-chlorophenyl)-4-oxo-1,3-thiazol-5-yl]acetate (PubChem CID 6930328) has the molecular formula C11H7ClNO3S- and a molecular weight of 268.70 g/mol. Its IUPAC name is 2-[(5R)-2-(3-chlorophenyl)-4-oxo-1,3-thiazol-5-yl]acetate.

Molecular Properties

Compound Name2-[(5R)-2-(3-chlorophenyl)-4-oxo-1,3-thiazol-5-yl]acetate
PubChem CID6930328
Molecular FormulaC11H7ClNO3S-
Molecular Weight268.70 g/mol
Exact Mass267.98
IUPAC Name2-[(5R)-2-(3-chlorophenyl)-4-oxo-1,3-thiazol-5-yl]acetate
SMILESO=C([O-])C[C@H]1SC(c2cccc(Cl)c2)=NC1=O
InChIInChI=1S/C11H8ClNO3S/c12-7-3-1-2-6(4-7)11-13-10(16)8(17-11)5-9(14)15/h1-4,8H,5H2,(H,14,15)/p-1/t8-/m1/s1
InChIKeyFHLYYJKNYWPGNE-MRVPVSSYSA-M
XLogP0.87
TPSA69.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.70
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[(5R)-2-(3-chlorophenyl)-4-oxo-1,3-thiazol-5-yl]acetate 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-[3-(3-chlorophenyl)phenyl]acetate
CID 7022503
N-(4-methoxy-2-nitrophenyl)-2-[(5S)-2-(3-methoxyphenyl)-4-oxo-1,3-thiazol-5-yl]acetamide
CID 7987571
4-(3-chlorophenyl)benzoate
CID 7021697
2-[(2E,5S)-2-[(Z)-(3-chlorophenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetate
CID 135852167
2-[(2E)-2-[(E)-(3-chlorophenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetate
CID 142410381
2-[(5R)-2-(4-hydroxyphenyl)-4-oxo-1,3-thiazol-5-yl]-N-(4-methylphenyl)acetamide
CID 135725449
N-(4-fluorophenyl)-2-[(5S)-2-(4-hydroxyphenyl)-4-oxo-1,3-thiazol-5-yl]acetamide
CID 135725453
5-(3-chlorophenyl)-2-methylbenzoyl chloride
CID 90329291
bis(4-chlorophenyl)methanone;1-chloro-3-(3-chlorophenyl)benzene
CID 70610303
4-(3-chlorophenyl)-2-fluorobenzoate
CID 86307091
2-(3-chlorophenyl)-4-propan-2-ylidene-1,3-oxazol-5-one
CID 6488951
1-[3-(3-chlorophenyl)phenyl]ethanone
CID 4304570

Frequently Asked Questions

What is the IUPAC name of 2-[(5R)-2-(3-chlorophenyl)-4-oxo-1,3-thiazol-5-yl]acetate?
The IUPAC name of 2-[(5R)-2-(3-chlorophenyl)-4-oxo-1,3-thiazol-5-yl]acetate (CID 6930328) is 2-[(5R)-2-(3-chlorophenyl)-4-oxo-1,3-thiazol-5-yl]acetate.
What is the SMILES notation for 2-[(5R)-2-(3-chlorophenyl)-4-oxo-1,3-thiazol-5-yl]acetate?
The canonical SMILES for 2-[(5R)-2-(3-chlorophenyl)-4-oxo-1,3-thiazol-5-yl]acetate is O=C([O-])C[C@H]1SC(c2cccc(Cl)c2)=NC1=O.
What is the InChIKey of 2-[(5R)-2-(3-chlorophenyl)-4-oxo-1,3-thiazol-5-yl]acetate?
The InChIKey is FHLYYJKNYWPGNE-MRVPVSSYSA-M. The full InChI is InChI=1S/C11H8ClNO3S/c12-7-3-1-2-6(4-7)11-13-10(16)8(17-11)5-9(14)15/h1-4,8H,5H2,(H,14,15)/p-1/t8-/m1/s1.
What are the key properties of 2-[(5R)-2-(3-chlorophenyl)-4-oxo-1,3-thiazol-5-yl]acetate?
2-[(5R)-2-(3-chlorophenyl)-4-oxo-1,3-thiazol-5-yl]acetate has a molecular weight of 268.70 g/mol, XLogP of 0.87, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5R)-2-(3-chlorophenyl)-4-oxo-1,3-thiazol-5-yl]acetate is sourced from PubChem (CID 6930328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).