(2S,4S)-3-(2-chlorobenzoyl)-2-(furan-3-yl)-1,3-thiazolidine-4-carboxylic acid

C15H12ClNO4S — CID 809630

IUPAC(2S,4S)-3-(2-chlorobenzoyl)-2-(furan-3-yl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)[C@H]1CS[C@@H](c2ccoc2)N1C(=O)c1ccccc1Cl
InChIInChI=1S/C15H12ClNO4S/c16-11-4-2-1-3-10(11)13(18)17-12(15(19)20)8-22-14(17)9-5-6-21-7-9/h1-7,12,14H,8H2,(H,19,20)/t12-,14+/m1/s1
InChIKeyAILDJACKMQZABC-OCCSQVGLSA-N
MW337.78 g/mol
LogP3.27
Rot. Bonds3

About (2S,4S)-3-(2-chlorobenzoyl)-2-(furan-3-yl)-1,3-thiazolidine-4-carboxylic acid

(2S,4S)-3-(2-chlorobenzoyl)-2-(furan-3-yl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 809630) has the molecular formula C15H12ClNO4S and a molecular weight of 337.78 g/mol. Its IUPAC name is (2S,4S)-3-(2-chlorobenzoyl)-2-(furan-3-yl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(2S,4S)-3-(2-chlorobenzoyl)-2-(furan-3-yl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID809630
Molecular FormulaC15H12ClNO4S
Molecular Weight337.78 g/mol
Exact Mass337.02
IUPAC Name(2S,4S)-3-(2-chlorobenzoyl)-2-(furan-3-yl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)[C@H]1CS[C@@H](c2ccoc2)N1C(=O)c1ccccc1Cl
InChIInChI=1S/C15H12ClNO4S/c16-11-4-2-1-3-10(11)13(18)17-12(15(19)20)8-22-14(17)9-5-6-21-7-9/h1-7,12,14H,8H2,(H,19,20)/t12-,14+/m1/s1
InChIKeyAILDJACKMQZABC-OCCSQVGLSA-N
XLogP3.27
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.78
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-chlorobenzoyl)-2-(furan-3-yl)-1,3-thiazolidine-4-carboxylic acid
CID 3627194
(2R,4R)-3-(2-chlorobenzoyl)-2-(furan-3-yl)-1,3-thiazolidine-4-carboxylic acid
CID 809634
3-(2-chlorobenzoyl)-N-[(4-fluorophenyl)methyl]-2-(furan-3-yl)-1,3-thiazolidine-4-carboxamide
CID 42745200
(2R,4R)-3-(2-chlorobenzoyl)-2-(furan-3-yl)-N-hexyl-1,3-thiazolidine-4-carboxamide
CID 7356695
(2S,4R)-3-(cyclopropanecarbonyl)-2-(furan-3-yl)-1,3-thiazolidine-4-carboxylic acid
CID 809599
(2R,4S)-3-(4-fluorobenzoyl)-2-(furan-3-yl)-1,3-thiazolidine-4-carboxylic acid
CID 809627
(2R,4S)-3-(2-chlorobenzoyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 93033230
3-benzoyl-2-(furan-3-yl)-N-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
CID 42745107
methyl (2R,4R)-3-(2-chlorobenzoyl)-2-(3-chlorophenyl)-1,3-thiazolidine-4-carboxylate
CID 1061758
methyl (2R,4S)-3-(2-chlorobenzoyl)-2-(3-chlorophenyl)-1,3-thiazolidine-4-carboxylate
CID 1061757
3-acetyl-N-benzyl-2-(furan-3-yl)-1,3-thiazolidine-4-carboxamide
CID 42744957
(2R,4R)-3-acetyl-2-phenyl-1,3-thiazolidine-4-carboxylic acid
CID 759136

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-3-(2-chlorobenzoyl)-2-(furan-3-yl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (2S,4S)-3-(2-chlorobenzoyl)-2-(furan-3-yl)-1,3-thiazolidine-4-carboxylic acid (CID 809630) is (2S,4S)-3-(2-chlorobenzoyl)-2-(furan-3-yl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (2S,4S)-3-(2-chlorobenzoyl)-2-(furan-3-yl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (2S,4S)-3-(2-chlorobenzoyl)-2-(furan-3-yl)-1,3-thiazolidine-4-carboxylic acid is O=C(O)[C@H]1CS[C@@H](c2ccoc2)N1C(=O)c1ccccc1Cl.
What is the InChIKey of (2S,4S)-3-(2-chlorobenzoyl)-2-(furan-3-yl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is AILDJACKMQZABC-OCCSQVGLSA-N. The full InChI is InChI=1S/C15H12ClNO4S/c16-11-4-2-1-3-10(11)13(18)17-12(15(19)20)8-22-14(17)9-5-6-21-7-9/h1-7,12,14H,8H2,(H,19,20)/t12-,14+/m1/s1.
What are the key properties of (2S,4S)-3-(2-chlorobenzoyl)-2-(furan-3-yl)-1,3-thiazolidine-4-carboxylic acid?
(2S,4S)-3-(2-chlorobenzoyl)-2-(furan-3-yl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 337.78 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-3-(2-chlorobenzoyl)-2-(furan-3-yl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 809630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).