(4S)-3-benzoyl-1,3-thiazolidine-4-carboxylic acid

C11H11NO3S — CID 11882190

IUPAC(4S)-3-benzoyl-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)[C@H]1CSCN1C(=O)c1ccccc1
InChIInChI=1S/C11H11NO3S/c13-10(8-4-2-1-3-5-8)12-7-16-6-9(12)11(14)15/h1-5,9H,6-7H2,(H,14,15)/t9-/m1/s1
InChIKeyGIVFXJOSWHOVIQ-SECBINFHSA-N
MW237.28 g/mol
LogP1.29
Rot. Bonds2

About (4S)-3-benzoyl-1,3-thiazolidine-4-carboxylic acid

(4S)-3-benzoyl-1,3-thiazolidine-4-carboxylic acid (PubChem CID 11882190) has the molecular formula C11H11NO3S and a molecular weight of 237.28 g/mol. Its IUPAC name is (4S)-3-benzoyl-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4S)-3-benzoyl-1,3-thiazolidine-4-carboxylic acid
PubChem CID11882190
Molecular FormulaC11H11NO3S
Molecular Weight237.28 g/mol
Exact Mass237.05
IUPAC Name(4S)-3-benzoyl-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)[C@H]1CSCN1C(=O)c1ccccc1
InChIInChI=1S/C11H11NO3S/c13-10(8-4-2-1-3-5-8)12-7-16-6-9(12)11(14)15/h1-5,9H,6-7H2,(H,14,15)/t9-/m1/s1
InChIKeyGIVFXJOSWHOVIQ-SECBINFHSA-N
XLogP1.29
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(pyridine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 13375478
3-(4-propan-2-ylbenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 24693101
3-[3-(dimethylamino)benzoyl]-1,3-thiazolidine-4-carboxylic acid
CID 43329177
3-(3-acetamidobenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 43359495
3-(3-methylsulfonylbenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 43099503
(4R)-3-(3-methylsulfonylbenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 29045368
3-(3,5-dibromobenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 107971194
(4R)-3-(4-butylbenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 61144010
3-[4-(trifluoromethylsulfanyl)benzoyl]-1,3-thiazolidine-4-carboxylic acid
CID 43359320
3-(quinoline-6-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 62848994
3-(3,4,5-trifluorobenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 63184099
3-[3-(methylsulfanylmethyl)benzoyl]-1,3-thiazolidine-4-carboxylic acid
CID 43359431

Frequently Asked Questions

What is the IUPAC name of (4S)-3-benzoyl-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (4S)-3-benzoyl-1,3-thiazolidine-4-carboxylic acid (CID 11882190) is (4S)-3-benzoyl-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (4S)-3-benzoyl-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (4S)-3-benzoyl-1,3-thiazolidine-4-carboxylic acid is O=C(O)[C@H]1CSCN1C(=O)c1ccccc1.
What is the InChIKey of (4S)-3-benzoyl-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is GIVFXJOSWHOVIQ-SECBINFHSA-N. The full InChI is InChI=1S/C11H11NO3S/c13-10(8-4-2-1-3-5-8)12-7-16-6-9(12)11(14)15/h1-5,9H,6-7H2,(H,14,15)/t9-/m1/s1.
What are the key properties of (4S)-3-benzoyl-1,3-thiazolidine-4-carboxylic acid?
(4S)-3-benzoyl-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 237.28 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-benzoyl-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 11882190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).