(2R,4R)-2-(2-chlorophenyl)-3-(3-methoxybenzoyl)-1,3-thiazolidine-4-carboxylic acid

C18H16ClNO4S — CID 1051119

IUPAC(2R,4R)-2-(2-chlorophenyl)-3-(3-methoxybenzoyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCOc1cccc(C(=O)N2[C@@H](c3ccccc3Cl)SC[C@H]2C(=O)O)c1
InChIInChI=1S/C18H16ClNO4S/c1-24-12-6-4-5-11(9-12)16(21)20-15(18(22)23)10-25-17(20)13-7-2-3-8-14(13)19/h2-9,15,17H,10H2,1H3,(H,22,23)/t15-,17+/m0/s1
InChIKeyFVPGLRWDDAAXCV-DOTOQJQBSA-N
MW377.85 g/mol
LogP3.69
Rot. Bonds4

About (2R,4R)-2-(2-chlorophenyl)-3-(3-methoxybenzoyl)-1,3-thiazolidine-4-carboxylic acid

(2R,4R)-2-(2-chlorophenyl)-3-(3-methoxybenzoyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 1051119) has the molecular formula C18H16ClNO4S and a molecular weight of 377.85 g/mol. Its IUPAC name is (2R,4R)-2-(2-chlorophenyl)-3-(3-methoxybenzoyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(2R,4R)-2-(2-chlorophenyl)-3-(3-methoxybenzoyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID1051119
Molecular FormulaC18H16ClNO4S
Molecular Weight377.85 g/mol
Exact Mass377.05
IUPAC Name(2R,4R)-2-(2-chlorophenyl)-3-(3-methoxybenzoyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCOc1cccc(C(=O)N2[C@@H](c3ccccc3Cl)SC[C@H]2C(=O)O)c1
InChIInChI=1S/C18H16ClNO4S/c1-24-12-6-4-5-11(9-12)16(21)20-15(18(22)23)10-25-17(20)13-7-2-3-8-14(13)19/h2-9,15,17H,10H2,1H3,(H,22,23)/t15-,17+/m0/s1
InChIKeyFVPGLRWDDAAXCV-DOTOQJQBSA-N
XLogP3.69
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.85
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,5S)-5-(2-chlorophenyl)-1-(3-methoxybenzoyl)pyrrolidine-2-carboxylic acid
CID 53257662
2-methylpropyl 2-(2-chlorophenyl)-3-(3,5-dimethoxybenzoyl)-1,3-thiazolidine-4-carboxylate
CID 5198932
(2R,4S)-2-(2-chlorophenyl)-3-(4-methyl-3-nitrobenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 1264988
methyl 2-(2-chlorophenyl)-3-[3-(trifluoromethyl)benzoyl]-1,3-thiazolidine-4-carboxylate
CID 42728775
propyl (2S,4R)-3-benzoyl-2-(2-chlorophenyl)-1,3-thiazolidine-4-carboxylate
CID 7231770
(2S,4R)-2-(2-chlorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-thiazolidine-4-carboxylic acid
CID 1096432
methyl 2-(2-chlorophenyl)-3-(4-methylbenzoyl)-1,3-thiazolidine-4-carboxylate
CID 42728767
methyl (2R,4R)-2-(2-chlorophenyl)-3-(4-iodobenzoyl)-1,3-thiazolidine-4-carboxylate
CID 146026666
propyl 2-(2-chlorophenyl)-3-(naphthalene-2-carbonyl)-1,3-thiazolidine-4-carboxylate
CID 5203660
(2R)-2-(3-methoxyphenyl)-1,3-thiazolidine-3,4-dicarboxylic acid
CID 90789628
3-benzoyl-2-(2-chlorophenyl)-N-(4-methylphenyl)-1,3-thiazolidine-4-carboxamide
CID 42745243
(2S,5R)-5-(2-chlorophenyl)-1-[4-(3-methoxyphenyl)benzoyl]pyrrolidine-2-carboxylic acid
CID 67256121

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-2-(2-chlorophenyl)-3-(3-methoxybenzoyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (2R,4R)-2-(2-chlorophenyl)-3-(3-methoxybenzoyl)-1,3-thiazolidine-4-carboxylic acid (CID 1051119) is (2R,4R)-2-(2-chlorophenyl)-3-(3-methoxybenzoyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (2R,4R)-2-(2-chlorophenyl)-3-(3-methoxybenzoyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (2R,4R)-2-(2-chlorophenyl)-3-(3-methoxybenzoyl)-1,3-thiazolidine-4-carboxylic acid is COc1cccc(C(=O)N2[C@@H](c3ccccc3Cl)SC[C@H]2C(=O)O)c1.
What is the InChIKey of (2R,4R)-2-(2-chlorophenyl)-3-(3-methoxybenzoyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is FVPGLRWDDAAXCV-DOTOQJQBSA-N. The full InChI is InChI=1S/C18H16ClNO4S/c1-24-12-6-4-5-11(9-12)16(21)20-15(18(22)23)10-25-17(20)13-7-2-3-8-14(13)19/h2-9,15,17H,10H2,1H3,(H,22,23)/t15-,17+/m0/s1.
What are the key properties of (2R,4R)-2-(2-chlorophenyl)-3-(3-methoxybenzoyl)-1,3-thiazolidine-4-carboxylic acid?
(2R,4R)-2-(2-chlorophenyl)-3-(3-methoxybenzoyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 377.85 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-2-(2-chlorophenyl)-3-(3-methoxybenzoyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 1051119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).