2-[2-[(2R)-1-(3-chloro-4-methoxyanilino)-1-oxopropan-2-yl]-1,3-thiazol-4-yl]acetate

C15H14ClN2O4S- — CID 9158154

IUPAC2-[2-[(2R)-1-(3-chloro-4-methoxyanilino)-1-oxopropan-2-yl]-1,3-thiazol-4-yl]acetate
SMILESCOc1ccc(NC(=O)[C@@H](C)c2nc(CC(=O)[O-])cs2)cc1Cl
InChIInChI=1S/C15H15ClN2O4S/c1-8(15-18-10(7-23-15)6-13(19)20)14(21)17-9-3-4-12(22-2)11(16)5-9/h3-5,7-8H,6H2,1-2H3,(H,17,21)(H,19,20)/p-1/t8-/m1/s1
InChIKeyJKWYTTHQLXYBFS-MRVPVSSYSA-M
MW353.81 g/mol
LogP1.84
Rot. Bonds6

About 2-[2-[(2R)-1-(3-chloro-4-methoxyanilino)-1-oxopropan-2-yl]-1,3-thiazol-4-yl]acetate

2-[2-[(2R)-1-(3-chloro-4-methoxyanilino)-1-oxopropan-2-yl]-1,3-thiazol-4-yl]acetate (PubChem CID 9158154) has the molecular formula C15H14ClN2O4S- and a molecular weight of 353.81 g/mol. Its IUPAC name is 2-[2-[(2R)-1-(3-chloro-4-methoxyanilino)-1-oxopropan-2-yl]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Name2-[2-[(2R)-1-(3-chloro-4-methoxyanilino)-1-oxopropan-2-yl]-1,3-thiazol-4-yl]acetate
PubChem CID9158154
Molecular FormulaC15H14ClN2O4S-
Molecular Weight353.81 g/mol
Exact Mass353.04
IUPAC Name2-[2-[(2R)-1-(3-chloro-4-methoxyanilino)-1-oxopropan-2-yl]-1,3-thiazol-4-yl]acetate
SMILESCOc1ccc(NC(=O)[C@@H](C)c2nc(CC(=O)[O-])cs2)cc1Cl
InChIInChI=1S/C15H15ClN2O4S/c1-8(15-18-10(7-23-15)6-13(19)20)14(21)17-9-3-4-12(22-2)11(16)5-9/h3-5,7-8H,6H2,1-2H3,(H,17,21)(H,19,20)/p-1/t8-/m1/s1
InChIKeyJKWYTTHQLXYBFS-MRVPVSSYSA-M
XLogP1.84
TPSA91.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.81
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[2-[(2R)-1-(3-chloro-4-methoxyanilino)-1-oxopropan-2-yl]-1,3-thiazol-4-yl]acetate with MolForge

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Related Compounds

N-(3-chloro-4-methylphenyl)-2-[4-(chloromethyl)-1,3-thiazol-2-yl]propanamide
CID 82155229
3-(3-chloro-4-methoxyanilino)-2-methyl-3-oxopropanoic acid
CID 83550580
(2S)-N-(3-chloro-4-methoxyphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide
CID 8936694
2-[2-[(2R)-1-oxo-1-(4-phenoxyanilino)propan-2-yl]-1,3-thiazol-4-yl]acetic acid
CID 9158170
2-[2-[1-(2-chloroanilino)-1-oxopropan-2-yl]-1,3-thiazol-4-yl]acetic acid
CID 16642297
2-amino-N-(3-chloro-4-methoxyphenyl)-3-methylpentanamide
CID 24707805
(2R)-N-(3-chloro-4-methoxyphenyl)-2-(4-methoxyphenoxy)propanamide
CID 925231
N-(3-chloro-4-methoxyphenyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide
CID 20950820
(2S)-N-(3-chloro-4-methoxyphenyl)-2-(2-chloro-4-nitrophenoxy)propanamide
CID 8956892
2-[2-(5-chloro-2-methoxyanilino)-1,3-thiazol-4-yl]acetate
CID 9154786
N-(3-chloro-4-methoxyphenyl)-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 46585965
N-[4-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 41229313

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2R)-1-(3-chloro-4-methoxyanilino)-1-oxopropan-2-yl]-1,3-thiazol-4-yl]acetate?
The IUPAC name of 2-[2-[(2R)-1-(3-chloro-4-methoxyanilino)-1-oxopropan-2-yl]-1,3-thiazol-4-yl]acetate (CID 9158154) is 2-[2-[(2R)-1-(3-chloro-4-methoxyanilino)-1-oxopropan-2-yl]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for 2-[2-[(2R)-1-(3-chloro-4-methoxyanilino)-1-oxopropan-2-yl]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for 2-[2-[(2R)-1-(3-chloro-4-methoxyanilino)-1-oxopropan-2-yl]-1,3-thiazol-4-yl]acetate is COc1ccc(NC(=O)[C@@H](C)c2nc(CC(=O)[O-])cs2)cc1Cl.
What is the InChIKey of 2-[2-[(2R)-1-(3-chloro-4-methoxyanilino)-1-oxopropan-2-yl]-1,3-thiazol-4-yl]acetate?
The InChIKey is JKWYTTHQLXYBFS-MRVPVSSYSA-M. The full InChI is InChI=1S/C15H15ClN2O4S/c1-8(15-18-10(7-23-15)6-13(19)20)14(21)17-9-3-4-12(22-2)11(16)5-9/h3-5,7-8H,6H2,1-2H3,(H,17,21)(H,19,20)/p-1/t8-/m1/s1.
What are the key properties of 2-[2-[(2R)-1-(3-chloro-4-methoxyanilino)-1-oxopropan-2-yl]-1,3-thiazol-4-yl]acetate?
2-[2-[(2R)-1-(3-chloro-4-methoxyanilino)-1-oxopropan-2-yl]-1,3-thiazol-4-yl]acetate has a molecular weight of 353.81 g/mol, XLogP of 1.84, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2R)-1-(3-chloro-4-methoxyanilino)-1-oxopropan-2-yl]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 9158154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).