(2S,4S)-3-(3-chlorobenzoyl)-2-(4-methylphenyl)-1,3-thiazolidine-4-carboxylate

C18H15ClNO3S- — CID 6974036

IUPAC(2S,4S)-3-(3-chlorobenzoyl)-2-(4-methylphenyl)-1,3-thiazolidine-4-carboxylate
SMILESCc1ccc([C@@H]2SC[C@H](C(=O)[O-])N2C(=O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C18H16ClNO3S/c1-11-5-7-12(8-6-11)17-20(15(10-24-17)18(22)23)16(21)13-3-2-4-14(19)9-13/h2-9,15,17H,10H2,1H3,(H,22,23)/p-1/t15-,17+/m1/s1
InChIKeyKEHAOGCUVNGZOK-WBVHZDCISA-M
MW360.84 g/mol
LogP2.65
Rot. Bonds3

About (2S,4S)-3-(3-chlorobenzoyl)-2-(4-methylphenyl)-1,3-thiazolidine-4-carboxylate

(2S,4S)-3-(3-chlorobenzoyl)-2-(4-methylphenyl)-1,3-thiazolidine-4-carboxylate (PubChem CID 6974036) has the molecular formula C18H15ClNO3S- and a molecular weight of 360.84 g/mol. Its IUPAC name is (2S,4S)-3-(3-chlorobenzoyl)-2-(4-methylphenyl)-1,3-thiazolidine-4-carboxylate.

Molecular Properties

Compound Name(2S,4S)-3-(3-chlorobenzoyl)-2-(4-methylphenyl)-1,3-thiazolidine-4-carboxylate
PubChem CID6974036
Molecular FormulaC18H15ClNO3S-
Molecular Weight360.84 g/mol
Exact Mass360.05
IUPAC Name(2S,4S)-3-(3-chlorobenzoyl)-2-(4-methylphenyl)-1,3-thiazolidine-4-carboxylate
SMILESCc1ccc([C@@H]2SC[C@H](C(=O)[O-])N2C(=O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C18H16ClNO3S/c1-11-5-7-12(8-6-11)17-20(15(10-24-17)18(22)23)16(21)13-3-2-4-14(19)9-13/h2-9,15,17H,10H2,1H3,(H,22,23)/p-1/t15-,17+/m1/s1
InChIKeyKEHAOGCUVNGZOK-WBVHZDCISA-M
XLogP2.65
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.84
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2S,4S)-3-(3-chlorobenzoyl)-2-(4-methylphenyl)-1,3-thiazolidine-4-carboxylate with MolForge

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Related Compounds

3-(3-chlorobenzoyl)-2-(4-methylphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 4984401
(2R,4R)-2-(2-chlorophenyl)-3-(4-methylbenzoyl)-1,3-thiazolidine-4-carboxylate
CID 7044378
(2S,4S)-2-(2-chlorophenyl)-3-(4-methylbenzoyl)-1,3-thiazolidine-4-carboxylate
CID 7044376
methyl (2S,4R)-2-(4-chlorophenyl)-3-(4-methylbenzoyl)-1,3-thiazolidine-4-carboxylate
CID 1477729
(2S,4S)-3-(3,5-dimethoxybenzoyl)-2-phenyl-1,3-thiazolidine-4-carboxylate
CID 7330974
(2R,4R)-3-acetyl-2-(3-methylphenyl)-1,3-thiazolidine-4-carboxylate
CID 6948542
methyl 2-(3-chlorophenyl)-3-(3,4-dichlorobenzoyl)-1,3-thiazolidine-4-carboxylate
CID 42728012
(2S,4R)-3-acetyl-2-(4-bromophenyl)-1,3-thiazolidine-4-carboxylate
CID 6938818
2-(3,4-dichlorophenyl)-3-(4-methylbenzoyl)-N-pentyl-1,3-thiazolidine-4-carboxamide
CID 42744012
3-benzoyl-2-(3-chlorophenyl)-N-(4-phenylbutan-2-yl)-1,3-thiazolidine-4-carboxamide
CID 42743856
2-(4-fluorophenyl)-3-[3-(trifluoromethyl)benzoyl]-1,3-thiazolidine-4-carboxylic acid
CID 42727751
methyl (2R,4R)-3-(2-chlorobenzoyl)-2-(3-chlorophenyl)-1,3-thiazolidine-4-carboxylate
CID 1061758

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-3-(3-chlorobenzoyl)-2-(4-methylphenyl)-1,3-thiazolidine-4-carboxylate?
The IUPAC name of (2S,4S)-3-(3-chlorobenzoyl)-2-(4-methylphenyl)-1,3-thiazolidine-4-carboxylate (CID 6974036) is (2S,4S)-3-(3-chlorobenzoyl)-2-(4-methylphenyl)-1,3-thiazolidine-4-carboxylate.
What is the SMILES notation for (2S,4S)-3-(3-chlorobenzoyl)-2-(4-methylphenyl)-1,3-thiazolidine-4-carboxylate?
The canonical SMILES for (2S,4S)-3-(3-chlorobenzoyl)-2-(4-methylphenyl)-1,3-thiazolidine-4-carboxylate is Cc1ccc([C@@H]2SC[C@H](C(=O)[O-])N2C(=O)c2cccc(Cl)c2)cc1.
What is the InChIKey of (2S,4S)-3-(3-chlorobenzoyl)-2-(4-methylphenyl)-1,3-thiazolidine-4-carboxylate?
The InChIKey is KEHAOGCUVNGZOK-WBVHZDCISA-M. The full InChI is InChI=1S/C18H16ClNO3S/c1-11-5-7-12(8-6-11)17-20(15(10-24-17)18(22)23)16(21)13-3-2-4-14(19)9-13/h2-9,15,17H,10H2,1H3,(H,22,23)/p-1/t15-,17+/m1/s1.
What are the key properties of (2S,4S)-3-(3-chlorobenzoyl)-2-(4-methylphenyl)-1,3-thiazolidine-4-carboxylate?
(2S,4S)-3-(3-chlorobenzoyl)-2-(4-methylphenyl)-1,3-thiazolidine-4-carboxylate has a molecular weight of 360.84 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-3-(3-chlorobenzoyl)-2-(4-methylphenyl)-1,3-thiazolidine-4-carboxylate is sourced from PubChem (CID 6974036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).