(4R)-3-(3-sulfanylpropanoyl)-2-thiophen-2-yl-1,3-thiazolidine-4-carboxylic acid

C11H13NO3S3 — CID 12915814

IUPAC(4R)-3-(3-sulfanylpropanoyl)-2-thiophen-2-yl-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)[C@@H]1CSC(c2cccs2)N1C(=O)CCS
InChIInChI=1S/C11H13NO3S3/c13-9(3-4-16)12-7(11(14)15)6-18-10(12)8-2-1-5-17-8/h1-2,5,7,10,16H,3-4,6H2,(H,14,15)/t7-,10?/m0/s1
InChIKeyLUQSASOPGDLIBN-BYDSUWOYSA-N
MW303.43 g/mol
LogP2.10
Rot. Bonds4

About (4R)-3-(3-sulfanylpropanoyl)-2-thiophen-2-yl-1,3-thiazolidine-4-carboxylic acid

(4R)-3-(3-sulfanylpropanoyl)-2-thiophen-2-yl-1,3-thiazolidine-4-carboxylic acid (PubChem CID 12915814) has the molecular formula C11H13NO3S3 and a molecular weight of 303.43 g/mol. Its IUPAC name is (4R)-3-(3-sulfanylpropanoyl)-2-thiophen-2-yl-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4R)-3-(3-sulfanylpropanoyl)-2-thiophen-2-yl-1,3-thiazolidine-4-carboxylic acid
PubChem CID12915814
Molecular FormulaC11H13NO3S3
Molecular Weight303.43 g/mol
Exact Mass303.01
IUPAC Name(4R)-3-(3-sulfanylpropanoyl)-2-thiophen-2-yl-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)[C@@H]1CSC(c2cccs2)N1C(=O)CCS
InChIInChI=1S/C11H13NO3S3/c13-9(3-4-16)12-7(11(14)15)6-18-10(12)8-2-1-5-17-8/h1-2,5,7,10,16H,3-4,6H2,(H,14,15)/t7-,10?/m0/s1
InChIKeyLUQSASOPGDLIBN-BYDSUWOYSA-N
XLogP2.10
TPSA57.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

(4R)-2-(3-hydroxyphenyl)-3-(3-sulfanylpropanoyl)-1,3-thiazolidine-4-carboxylic acid
CID 12915713
2-cyclopropyl-3-(3-thiophen-2-ylpropanoyl)-1,3-thiazolidine-4-carboxylic acid
CID 63781077
(2R,4R)-N-hydroxy-2-(2-hydroxyphenyl)-3-(3-sulfanylpropanoyl)-1,3-thiazolidine-4-carboxamide
CID 13066729
(4R)-3-butanoyl-2-(2-hydroxyphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 146861544
3-(3-cyclopentylpropanoyl)-2-phenyl-1,3-thiazolidine-4-carboxylic acid
CID 42728472
3-(3-chloropropanoyl)-2-(4-fluorophenyl)-1,3-thiazolidine-4-carboxylic acid
CID 42727794
(4R)-2-(2-acetyloxyphenyl)-3-[14-[(4R)-2-(2-acetyloxyphenyl)-4-carboxy-1,3-thiazolidin-3-yl]-14-oxotetradecanoyl]-1,3-thiazolidine-4-carboxylic acid
CID 18596150
2-tert-butyl-3-(2-thiophen-2-ylacetyl)-1,3-thiazolidine-4-carboxylic acid
CID 134091494
3-(2-amino-2-thiophen-2-ylacetyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 113279259
(2R,4R)-3-(4-chlorobenzoyl)-N-propyl-2-thiophen-2-yl-1,3-thiazolidine-4-carboxamide
CID 7225664
2-methyl-3-(4-phenoxybutanoyl)-1,3-thiazolidine-4-carboxylic acid
CID 63792319
3-(3-chloropropanoyl)-2-(4-phenylmethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 42728854

Frequently Asked Questions

What is the IUPAC name of (4R)-3-(3-sulfanylpropanoyl)-2-thiophen-2-yl-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (4R)-3-(3-sulfanylpropanoyl)-2-thiophen-2-yl-1,3-thiazolidine-4-carboxylic acid (CID 12915814) is (4R)-3-(3-sulfanylpropanoyl)-2-thiophen-2-yl-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (4R)-3-(3-sulfanylpropanoyl)-2-thiophen-2-yl-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (4R)-3-(3-sulfanylpropanoyl)-2-thiophen-2-yl-1,3-thiazolidine-4-carboxylic acid is O=C(O)[C@@H]1CSC(c2cccs2)N1C(=O)CCS.
What is the InChIKey of (4R)-3-(3-sulfanylpropanoyl)-2-thiophen-2-yl-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is LUQSASOPGDLIBN-BYDSUWOYSA-N. The full InChI is InChI=1S/C11H13NO3S3/c13-9(3-4-16)12-7(11(14)15)6-18-10(12)8-2-1-5-17-8/h1-2,5,7,10,16H,3-4,6H2,(H,14,15)/t7-,10?/m0/s1.
What are the key properties of (4R)-3-(3-sulfanylpropanoyl)-2-thiophen-2-yl-1,3-thiazolidine-4-carboxylic acid?
(4R)-3-(3-sulfanylpropanoyl)-2-thiophen-2-yl-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 303.43 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-(3-sulfanylpropanoyl)-2-thiophen-2-yl-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 12915814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).