(2S,4S)-2-(2-chlorophenyl)-3-(4-methylbenzoyl)-1,3-thiazolidine-4-carboxylate

C18H15ClNO3S- — CID 7044376

IUPAC(2S,4S)-2-(2-chlorophenyl)-3-(4-methylbenzoyl)-1,3-thiazolidine-4-carboxylate
SMILESCc1ccc(C(=O)N2[C@@H](C(=O)[O-])CS[C@H]2c2ccccc2Cl)cc1
InChIInChI=1S/C18H16ClNO3S/c1-11-6-8-12(9-7-11)16(21)20-15(18(22)23)10-24-17(20)13-4-2-3-5-14(13)19/h2-9,15,17H,10H2,1H3,(H,22,23)/p-1/t15-,17+/m1/s1
InChIKeyBDCKQLQRWJGVHI-WBVHZDCISA-M
MW360.84 g/mol
LogP2.65
Rot. Bonds3

About (2S,4S)-2-(2-chlorophenyl)-3-(4-methylbenzoyl)-1,3-thiazolidine-4-carboxylate

(2S,4S)-2-(2-chlorophenyl)-3-(4-methylbenzoyl)-1,3-thiazolidine-4-carboxylate (PubChem CID 7044376) has the molecular formula C18H15ClNO3S- and a molecular weight of 360.84 g/mol. Its IUPAC name is (2S,4S)-2-(2-chlorophenyl)-3-(4-methylbenzoyl)-1,3-thiazolidine-4-carboxylate.

Molecular Properties

Compound Name(2S,4S)-2-(2-chlorophenyl)-3-(4-methylbenzoyl)-1,3-thiazolidine-4-carboxylate
PubChem CID7044376
Molecular FormulaC18H15ClNO3S-
Molecular Weight360.84 g/mol
Exact Mass360.05
IUPAC Name(2S,4S)-2-(2-chlorophenyl)-3-(4-methylbenzoyl)-1,3-thiazolidine-4-carboxylate
SMILESCc1ccc(C(=O)N2[C@@H](C(=O)[O-])CS[C@H]2c2ccccc2Cl)cc1
InChIInChI=1S/C18H16ClNO3S/c1-11-6-8-12(9-7-11)16(21)20-15(18(22)23)10-24-17(20)13-4-2-3-5-14(13)19/h2-9,15,17H,10H2,1H3,(H,22,23)/p-1/t15-,17+/m1/s1
InChIKeyBDCKQLQRWJGVHI-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

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Related Compounds

(2R,4R)-2-(2-chlorophenyl)-3-(4-methylbenzoyl)-1,3-thiazolidine-4-carboxylate
CID 7044378
methyl 2-(2-chlorophenyl)-3-(4-methylbenzoyl)-1,3-thiazolidine-4-carboxylate
CID 42728767
3-benzoyl-2-(2-chlorophenyl)-N-(4-methylphenyl)-1,3-thiazolidine-4-carboxamide
CID 42745243
methyl (2R,4R)-2-(2-chlorophenyl)-3-(4-iodobenzoyl)-1,3-thiazolidine-4-carboxylate
CID 146026666
(2S,4S)-3-(3-chlorobenzoyl)-2-(4-methylphenyl)-1,3-thiazolidine-4-carboxylate
CID 6974036
(2R,4S)-2-(2-chlorophenyl)-3-(4-methyl-3-nitrobenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 1264988
propyl (2S,4R)-3-benzoyl-2-(2-chlorophenyl)-1,3-thiazolidine-4-carboxylate
CID 7231770
(2R,4R)-2-(2-chlorophenyl)-3-(3-methoxybenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 1051119
2-methylpropyl 2-(2-chlorophenyl)-3-[4-(trifluoromethyl)benzoyl]-1,3-thiazolidine-4-carboxylate
CID 42744591
propyl 2-(2-chlorophenyl)-3-(naphthalene-2-carbonyl)-1,3-thiazolidine-4-carboxylate
CID 5203660
methyl 2-(2-chlorophenyl)-3-[3-(trifluoromethyl)benzoyl]-1,3-thiazolidine-4-carboxylate
CID 42728775
ethyl 2-(2-chlorophenyl)-3-(2-fluorobenzoyl)-1,3-thiazolidine-4-carboxylate
CID 42728809

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-2-(2-chlorophenyl)-3-(4-methylbenzoyl)-1,3-thiazolidine-4-carboxylate?
The IUPAC name of (2S,4S)-2-(2-chlorophenyl)-3-(4-methylbenzoyl)-1,3-thiazolidine-4-carboxylate (CID 7044376) is (2S,4S)-2-(2-chlorophenyl)-3-(4-methylbenzoyl)-1,3-thiazolidine-4-carboxylate.
What is the SMILES notation for (2S,4S)-2-(2-chlorophenyl)-3-(4-methylbenzoyl)-1,3-thiazolidine-4-carboxylate?
The canonical SMILES for (2S,4S)-2-(2-chlorophenyl)-3-(4-methylbenzoyl)-1,3-thiazolidine-4-carboxylate is Cc1ccc(C(=O)N2[C@@H](C(=O)[O-])CS[C@H]2c2ccccc2Cl)cc1.
What is the InChIKey of (2S,4S)-2-(2-chlorophenyl)-3-(4-methylbenzoyl)-1,3-thiazolidine-4-carboxylate?
The InChIKey is BDCKQLQRWJGVHI-WBVHZDCISA-M. The full InChI is InChI=1S/C18H16ClNO3S/c1-11-6-8-12(9-7-11)16(21)20-15(18(22)23)10-24-17(20)13-4-2-3-5-14(13)19/h2-9,15,17H,10H2,1H3,(H,22,23)/p-1/t15-,17+/m1/s1.
What are the key properties of (2S,4S)-2-(2-chlorophenyl)-3-(4-methylbenzoyl)-1,3-thiazolidine-4-carboxylate?
(2S,4S)-2-(2-chlorophenyl)-3-(4-methylbenzoyl)-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)-2-(2-chlorophenyl)-3-(4-methylbenzoyl)-1,3-thiazolidine-4-carboxylate is sourced from PubChem (CID 7044376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).