2-[(2S)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl]-4-methyl-1,3-thiazole-5-carboxylate

C15H14ClN2O4S- — CID 9158776

IUPAC2-[(2S)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl]-4-methyl-1,3-thiazole-5-carboxylate
SMILESCOc1ccc(Cl)cc1NC(=O)[C@H](C)c1nc(C)c(C(=O)[O-])s1
InChIInChI=1S/C15H15ClN2O4S/c1-7(14-17-8(2)12(23-14)15(20)21)13(19)18-10-6-9(16)4-5-11(10)22-3/h4-7H,1-3H3,(H,18,19)(H,20,21)/p-1/t7-/m0/s1
InChIKeyWLILQDBUVDQQSF-ZETCQYMHSA-M
MW353.81 g/mol
LogP2.22
Rot. Bonds5

About 2-[(2S)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl]-4-methyl-1,3-thiazole-5-carboxylate

2-[(2S)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl]-4-methyl-1,3-thiazole-5-carboxylate (PubChem CID 9158776) has the molecular formula C15H14ClN2O4S- and a molecular weight of 353.81 g/mol. Its IUPAC name is 2-[(2S)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl]-4-methyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Name2-[(2S)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl]-4-methyl-1,3-thiazole-5-carboxylate
PubChem CID9158776
Molecular FormulaC15H14ClN2O4S-
Molecular Weight353.81 g/mol
Exact Mass353.04
IUPAC Name2-[(2S)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl]-4-methyl-1,3-thiazole-5-carboxylate
SMILESCOc1ccc(Cl)cc1NC(=O)[C@H](C)c1nc(C)c(C(=O)[O-])s1
InChIInChI=1S/C15H15ClN2O4S/c1-7(14-17-8(2)12(23-14)15(20)21)13(19)18-10-6-9(16)4-5-11(10)22-3/h4-7H,1-3H3,(H,18,19)(H,20,21)/p-1/t7-/m0/s1
InChIKeyWLILQDBUVDQQSF-ZETCQYMHSA-M
XLogP2.22
TPSA91.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.81
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[(2S)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl]-4-methyl-1,3-thiazole-5-carboxylate with MolForge

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Related Compounds

[(2R)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] 2,4-dimethyl-1,3-thiazole-5-carboxylate
CID 40608321
2-[(2S)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl]-1,3-thiazole-4-carboxylic acid
CID 9158503
3-(5-chloro-2-methoxyanilino)-2-methyl-3-oxopropanoic acid
CID 83550581
(2S)-2-amino-N-(5-chloro-2-methoxyphenyl)propanamide;hydrochloride
CID 119262144
1-(5-chloro-2-methoxyphenyl)-3-(2-methoxy-4,6-dimethylpyrimidin-5-yl)urea
CID 122302630
N-(5-chloro-2-methoxyphenyl)-2-[1-(4-methoxyphenyl)ethylamino]propanamide
CID 166198122
N-(5-chloro-2-methoxyphenyl)-2-cyclopropyl-4-methyl-1,3-thiazole-5-carboxamide
CID 110694390
(2R)-N-(5-chloro-2-methoxyphenyl)-2-(4-chloro-2-methylphenoxy)propanamide
CID 1222422
2-(5-chloro-2-methoxyanilino)-2-oxoacetate
CID 2300901
[(2R)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] 4-methylbenzoate
CID 2506364
(2S)-N-(5-chloro-2-methoxyphenyl)-2-(7-methoxynaphthalen-2-yl)oxypropanamide
CID 7652556
[(2S)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 2681478

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl]-4-methyl-1,3-thiazole-5-carboxylate?
The IUPAC name of 2-[(2S)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl]-4-methyl-1,3-thiazole-5-carboxylate (CID 9158776) is 2-[(2S)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl]-4-methyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for 2-[(2S)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl]-4-methyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for 2-[(2S)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl]-4-methyl-1,3-thiazole-5-carboxylate is COc1ccc(Cl)cc1NC(=O)[C@H](C)c1nc(C)c(C(=O)[O-])s1.
What is the InChIKey of 2-[(2S)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl]-4-methyl-1,3-thiazole-5-carboxylate?
The InChIKey is WLILQDBUVDQQSF-ZETCQYMHSA-M. The full InChI is InChI=1S/C15H15ClN2O4S/c1-7(14-17-8(2)12(23-14)15(20)21)13(19)18-10-6-9(16)4-5-11(10)22-3/h4-7H,1-3H3,(H,18,19)(H,20,21)/p-1/t7-/m0/s1.
What are the key properties of 2-[(2S)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl]-4-methyl-1,3-thiazole-5-carboxylate?
2-[(2S)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl]-4-methyl-1,3-thiazole-5-carboxylate has a molecular weight of 353.81 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl]-4-methyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 9158776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).