3-(quinolin-3-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid

C14H13N3O3S — CID 62781800

IUPAC3-(quinolin-3-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)C1CSCN1C(=O)Nc1cnc2ccccc2c1
InChIInChI=1S/C14H13N3O3S/c18-13(19)12-7-21-8-17(12)14(20)16-10-5-9-3-1-2-4-11(9)15-6-10/h1-6,12H,7-8H2,(H,16,20)(H,18,19)
InChIKeyBSAINKOJSQBFHS-UHFFFAOYSA-N
MW303.34 g/mol
LogP2.23
Rot. Bonds2

About 3-(quinolin-3-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid

3-(quinolin-3-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 62781800) has the molecular formula C14H13N3O3S and a molecular weight of 303.34 g/mol. Its IUPAC name is 3-(quinolin-3-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-(quinolin-3-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID62781800
Molecular FormulaC14H13N3O3S
Molecular Weight303.34 g/mol
Exact Mass303.07
IUPAC Name3-(quinolin-3-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)C1CSCN1C(=O)Nc1cnc2ccccc2c1
InChIInChI=1S/C14H13N3O3S/c18-13(19)12-7-21-8-17(12)14(20)16-10-5-9-3-1-2-4-11(9)15-6-10/h1-6,12H,7-8H2,(H,16,20)(H,18,19)
InChIKeyBSAINKOJSQBFHS-UHFFFAOYSA-N
XLogP2.23
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4R)-3-[(4-acetamidophenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 61183048
1-(quinolin-3-ylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 63032131
3-[(4-methylphenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 43437733
4-methyl-N-quinolin-3-ylpiperidine-1-carboxamide
CID 115582764
3-[[4-(trifluoromethyl)phenyl]carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 61183483
3-[(4-cyanophenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 24690033
3-[(4-sulfamoylphenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 61185499
(4R)-3-(1-phenylethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 61189106
(1R,2S,3S,4R)-3-(quinolin-3-ylcarbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 18555567
3-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 107629310
(4R)-3-[(2-cyanophenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 61191848
(4R)-3-[[2-(trifluoromethyl)phenyl]carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 61181721

Frequently Asked Questions

What is the IUPAC name of 3-(quinolin-3-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-(quinolin-3-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid (CID 62781800) is 3-(quinolin-3-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-(quinolin-3-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-(quinolin-3-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid is O=C(O)C1CSCN1C(=O)Nc1cnc2ccccc2c1.
What is the InChIKey of 3-(quinolin-3-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is BSAINKOJSQBFHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3S/c18-13(19)12-7-21-8-17(12)14(20)16-10-5-9-3-1-2-4-11(9)15-6-10/h1-6,12H,7-8H2,(H,16,20)(H,18,19).
What are the key properties of 3-(quinolin-3-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid?
3-(quinolin-3-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 303.34 g/mol, XLogP of 2.23, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(quinolin-3-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 62781800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).