2-[(2S)-2-(4-chlorophenyl)-1,3-thiazolidine-3-carbonyl]benzoic acid

C17H14ClNO3S — CID 748319

IUPAC2-[(2S)-2-(4-chlorophenyl)-1,3-thiazolidine-3-carbonyl]benzoic acid
SMILESO=C(O)c1ccccc1C(=O)N1CCS[C@H]1c1ccc(Cl)cc1
InChIInChI=1S/C17H14ClNO3S/c18-12-7-5-11(6-8-12)16-19(9-10-23-16)15(20)13-3-1-2-4-14(13)17(21)22/h1-8,16H,9-10H2,(H,21,22)/t16-/m0/s1
InChIKeyWBMUDYPJDDBFRN-INIZCTEOSA-N
MW347.82 g/mol
LogP3.93
Rot. Bonds3

About 2-[(2S)-2-(4-chlorophenyl)-1,3-thiazolidine-3-carbonyl]benzoic acid

2-[(2S)-2-(4-chlorophenyl)-1,3-thiazolidine-3-carbonyl]benzoic acid (PubChem CID 748319) has the molecular formula C17H14ClNO3S and a molecular weight of 347.82 g/mol. Its IUPAC name is 2-[(2S)-2-(4-chlorophenyl)-1,3-thiazolidine-3-carbonyl]benzoic acid.

Molecular Properties

Compound Name2-[(2S)-2-(4-chlorophenyl)-1,3-thiazolidine-3-carbonyl]benzoic acid
PubChem CID748319
Molecular FormulaC17H14ClNO3S
Molecular Weight347.82 g/mol
Exact Mass347.04
IUPAC Name2-[(2S)-2-(4-chlorophenyl)-1,3-thiazolidine-3-carbonyl]benzoic acid
SMILESO=C(O)c1ccccc1C(=O)N1CCS[C@H]1c1ccc(Cl)cc1
InChIInChI=1S/C17H14ClNO3S/c18-12-7-5-11(6-8-12)16-19(9-10-23-16)15(20)13-3-1-2-4-14(13)17(21)22/h1-8,16H,9-10H2,(H,21,22)/t16-/m0/s1
InChIKeyWBMUDYPJDDBFRN-INIZCTEOSA-N
XLogP3.93
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.82
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(4-bromophenyl)-1,3-thiazolidine-3-carbonyl]benzoic acid
CID 44785158
2-[(2R)-2-(3-bromo-4-methoxyphenyl)-1,3-thiazolidine-3-carbonyl]benzoic acid
CID 36687936
(2-fluorophenyl)-[(2S)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]methanone
CID 1024047
[(2R)-2-(4-fluorophenyl)-1,3-thiazolidin-3-yl]-(2-methylphenyl)methanone
CID 7283655
[2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]-(2-methylphenyl)methanone
CID 4062642
[(2S)-2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]-(2-methylphenyl)methanone
CID 7360453
[(2S)-2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]-(2,4-dichlorophenyl)methanone
CID 7438620
(2-chlorophenyl)-[(2R)-2-pyridin-3-yl-1,3-thiazolidin-3-yl]methanone
CID 815814
[2-(4-chlorophenyl)-1,3-thiazolidin-3-yl]-(5-methylpyrazin-2-yl)methanone
CID 122329605
[2-(4-tert-butylphenyl)-1,3-thiazolidin-3-yl]-phenylmethanone
CID 4058369
(2-methoxy-3-pyridinyl)-(2-phenyl-1,3-thiazolidin-3-yl)methanone
CID 122329222
1,4-dichlorobenzene;phthalic acid
CID 146444395

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-(4-chlorophenyl)-1,3-thiazolidine-3-carbonyl]benzoic acid?
The IUPAC name of 2-[(2S)-2-(4-chlorophenyl)-1,3-thiazolidine-3-carbonyl]benzoic acid (CID 748319) is 2-[(2S)-2-(4-chlorophenyl)-1,3-thiazolidine-3-carbonyl]benzoic acid.
What is the SMILES notation for 2-[(2S)-2-(4-chlorophenyl)-1,3-thiazolidine-3-carbonyl]benzoic acid?
The canonical SMILES for 2-[(2S)-2-(4-chlorophenyl)-1,3-thiazolidine-3-carbonyl]benzoic acid is O=C(O)c1ccccc1C(=O)N1CCS[C@H]1c1ccc(Cl)cc1.
What is the InChIKey of 2-[(2S)-2-(4-chlorophenyl)-1,3-thiazolidine-3-carbonyl]benzoic acid?
The InChIKey is WBMUDYPJDDBFRN-INIZCTEOSA-N. The full InChI is InChI=1S/C17H14ClNO3S/c18-12-7-5-11(6-8-12)16-19(9-10-23-16)15(20)13-3-1-2-4-14(13)17(21)22/h1-8,16H,9-10H2,(H,21,22)/t16-/m0/s1.
What are the key properties of 2-[(2S)-2-(4-chlorophenyl)-1,3-thiazolidine-3-carbonyl]benzoic acid?
2-[(2S)-2-(4-chlorophenyl)-1,3-thiazolidine-3-carbonyl]benzoic acid has a molecular weight of 347.82 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-(4-chlorophenyl)-1,3-thiazolidine-3-carbonyl]benzoic acid is sourced from PubChem (CID 748319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).