3-[(2-chloro-4-fluorophenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid

C11H10ClFN2O3S — CID 61184642

IUPAC3-[(2-chloro-4-fluorophenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)C1CSCN1C(=O)Nc1ccc(F)cc1Cl
InChIInChI=1S/C11H10ClFN2O3S/c12-7-3-6(13)1-2-8(7)14-11(18)15-5-19-4-9(15)10(16)17/h1-3,9H,4-5H2,(H,14,18)(H,16,17)
InChIKeyXBWGMMCQTPLOCF-UHFFFAOYSA-N
MW304.73 g/mol
LogP2.47
Rot. Bonds2

About 3-[(2-chloro-4-fluorophenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid

3-[(2-chloro-4-fluorophenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid (PubChem CID 61184642) has the molecular formula C11H10ClFN2O3S and a molecular weight of 304.73 g/mol. Its IUPAC name is 3-[(2-chloro-4-fluorophenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-[(2-chloro-4-fluorophenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
PubChem CID61184642
Molecular FormulaC11H10ClFN2O3S
Molecular Weight304.73 g/mol
Exact Mass304.01
IUPAC Name3-[(2-chloro-4-fluorophenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)C1CSCN1C(=O)Nc1ccc(F)cc1Cl
InChIInChI=1S/C11H10ClFN2O3S/c12-7-3-6(13)1-2-8(7)14-11(18)15-5-19-4-9(15)10(16)17/h1-3,9H,4-5H2,(H,14,18)(H,16,17)
InChIKeyXBWGMMCQTPLOCF-UHFFFAOYSA-N
XLogP2.47
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.73
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Dimethyl 3-[(4-chloroanilino)carbonyl]-1,3-thiazolane-2,4-dicarboxylate
CID 3796378
(2R)-2-acetamido-3-[(2-chlorophenyl)carbamoylsulfanyl]propanoic acid
CID 53321316
(2S)-2-[(3-chloro-4-fluorophenyl)carbamoylamino]propanoic acid
CID 939102
(2S)-2-[(3-chloro-4-fluorophenyl)carbamoylamino]-4-methylsulfanylbutanoate
CID 2011914
N-[(3-chloro-4-fluorophenyl)carbamoyl]-L-methionine
CID 2011915
(S)-methyl 2-(3-(3-chloro-4-fluorophenyl)ureido)-4-(methylthio)butanoate
CID 2031122
Methyl 2-[(3-chloro-4-fluorophenyl)carbamoylamino]-4-methylsulfanylbutanoate
CID 4028416
Butyl 3-[(3-chloro-4-fluorophenyl)carbamoyl]-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxylate
CID 4266933
2-[(3-Chloro-4-fluorophenyl)carbamoylamino]-4-methylsulfanylbutanoic acid
CID 4311205
2-[(3-Chloro-4-fluorophenyl)carbamoylamino]propanoic acid
CID 4584725
methyl N-[(3-chloro-4-fluorophenyl)carbamoyl]-D-methioninate
CID 6588411
methyl (4S)-3-[(4-fluorophenyl)carbamoyl]-1,3-thiazolidine-4-carboxylate
CID 7997288

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloro-4-fluorophenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-[(2-chloro-4-fluorophenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid (CID 61184642) is 3-[(2-chloro-4-fluorophenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-[(2-chloro-4-fluorophenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-[(2-chloro-4-fluorophenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid is O=C(O)C1CSCN1C(=O)Nc1ccc(F)cc1Cl.
What is the InChIKey of 3-[(2-chloro-4-fluorophenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is XBWGMMCQTPLOCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFN2O3S/c12-7-3-6(13)1-2-8(7)14-11(18)15-5-19-4-9(15)10(16)17/h1-3,9H,4-5H2,(H,14,18)(H,16,17).
What are the key properties of 3-[(2-chloro-4-fluorophenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid?
3-[(2-chloro-4-fluorophenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 304.73 g/mol, XLogP of 2.47, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chloro-4-fluorophenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 61184642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).