(4S)-3-[4-chloro-3-(4-chlorophenyl)benzoyl]-1,3-thiazolidine-4-carboxylic acid

C17H13Cl2NO3S — CID 11639536

IUPAC(4S)-3-[4-chloro-3-(4-chlorophenyl)benzoyl]-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)[C@H]1CSCN1C(=O)c1ccc(Cl)c(-c2ccc(Cl)cc2)c1
InChIInChI=1S/C17H13Cl2NO3S/c18-12-4-1-10(2-5-12)13-7-11(3-6-14(13)19)16(21)20-9-24-8-15(20)17(22)23/h1-7,15H,8-9H2,(H,22,23)/t15-/m1/s1
InChIKeyVNIJABZTFGNBEW-OAHLLOKOSA-N
MW382.27 g/mol
LogP4.26
Rot. Bonds3

About (4S)-3-[4-chloro-3-(4-chlorophenyl)benzoyl]-1,3-thiazolidine-4-carboxylic acid

(4S)-3-[4-chloro-3-(4-chlorophenyl)benzoyl]-1,3-thiazolidine-4-carboxylic acid (PubChem CID 11639536) has the molecular formula C17H13Cl2NO3S and a molecular weight of 382.27 g/mol. Its IUPAC name is (4S)-3-[4-chloro-3-(4-chlorophenyl)benzoyl]-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4S)-3-[4-chloro-3-(4-chlorophenyl)benzoyl]-1,3-thiazolidine-4-carboxylic acid
PubChem CID11639536
Molecular FormulaC17H13Cl2NO3S
Molecular Weight382.27 g/mol
Exact Mass381.00
IUPAC Name(4S)-3-[4-chloro-3-(4-chlorophenyl)benzoyl]-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)[C@H]1CSCN1C(=O)c1ccc(Cl)c(-c2ccc(Cl)cc2)c1
InChIInChI=1S/C17H13Cl2NO3S/c18-12-4-1-10(2-5-12)13-7-11(3-6-14(13)19)16(21)20-9-24-8-15(20)17(22)23/h1-7,15H,8-9H2,(H,22,23)/t15-/m1/s1
InChIKeyVNIJABZTFGNBEW-OAHLLOKOSA-N
XLogP4.26
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.27
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5-chloro-2-methylbenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 82880621
(4R)-3-(4-fluoro-3-nitrobenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 61144842
(4R)-3-(2-chloro-5-hydroxybenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 106500237
(4S)-3-benzoyl-1,3-thiazolidine-4-carboxylic acid
CID 11882190
3-[2-[[2-(4-carboxy-1,3-thiazolidine-3-carbonyl)-4-chlorophenyl]disulfanyl]-5-chlorobenzoyl]-1,3-thiazolidine-4-carboxylic acid
CID 10627468
3-(5-bromo-2-chlorobenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 43359168
3-(4-propan-2-ylbenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 24693101
(4R)-3-(3,5-dichloro-4-methoxybenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 61144844
3-(3,4,5-trifluorobenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 63184099
3-[4-chloro-3-(9H-fluoren-9-ylmethoxycarbonylamino)benzoyl]-1,3-thiazolidine-4-carboxylic acid
CID 165485217
3-(3,5-dibromobenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 107971194
(4R)-3-(2,3,4-trifluorobenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 79749977

Frequently Asked Questions

What is the IUPAC name of (4S)-3-[4-chloro-3-(4-chlorophenyl)benzoyl]-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (4S)-3-[4-chloro-3-(4-chlorophenyl)benzoyl]-1,3-thiazolidine-4-carboxylic acid (CID 11639536) is (4S)-3-[4-chloro-3-(4-chlorophenyl)benzoyl]-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (4S)-3-[4-chloro-3-(4-chlorophenyl)benzoyl]-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (4S)-3-[4-chloro-3-(4-chlorophenyl)benzoyl]-1,3-thiazolidine-4-carboxylic acid is O=C(O)[C@H]1CSCN1C(=O)c1ccc(Cl)c(-c2ccc(Cl)cc2)c1.
What is the InChIKey of (4S)-3-[4-chloro-3-(4-chlorophenyl)benzoyl]-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is VNIJABZTFGNBEW-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H13Cl2NO3S/c18-12-4-1-10(2-5-12)13-7-11(3-6-14(13)19)16(21)20-9-24-8-15(20)17(22)23/h1-7,15H,8-9H2,(H,22,23)/t15-/m1/s1.
What are the key properties of (4S)-3-[4-chloro-3-(4-chlorophenyl)benzoyl]-1,3-thiazolidine-4-carboxylic acid?
(4S)-3-[4-chloro-3-(4-chlorophenyl)benzoyl]-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 382.27 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[4-chloro-3-(4-chlorophenyl)benzoyl]-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 11639536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).