3-[(2-methylphenyl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid

C13H16N2O3S — CID 61204063

IUPAC3-[(2-methylphenyl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
SMILESCc1ccccc1CNC(=O)N1CSCC1C(=O)O
InChIInChI=1S/C13H16N2O3S/c1-9-4-2-3-5-10(9)6-14-13(18)15-8-19-7-11(15)12(16)17/h2-5,11H,6-8H2,1H3,(H,14,18)(H,16,17)
InChIKeyUCUVBQXOJQLRPI-UHFFFAOYSA-N
MW280.35 g/mol
LogP1.66
Rot. Bonds3

About 3-[(2-methylphenyl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid

3-[(2-methylphenyl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid (PubChem CID 61204063) has the molecular formula C13H16N2O3S and a molecular weight of 280.35 g/mol. Its IUPAC name is 3-[(2-methylphenyl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-[(2-methylphenyl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
PubChem CID61204063
Molecular FormulaC13H16N2O3S
Molecular Weight280.35 g/mol
Exact Mass280.09
IUPAC Name3-[(2-methylphenyl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
SMILESCc1ccccc1CNC(=O)N1CSCC1C(=O)O
InChIInChI=1S/C13H16N2O3S/c1-9-4-2-3-5-10(9)6-14-13(18)15-8-19-7-11(15)12(16)17/h2-5,11H,6-8H2,1H3,(H,14,18)(H,16,17)
InChIKeyUCUVBQXOJQLRPI-UHFFFAOYSA-N
XLogP1.66
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-3-[(2-fluorophenyl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 61189858
(4R)-3-[(3-methylphenyl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 61205375
(2S)-4-hydroxy-1-[(2-methylphenyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 61203885
3-[(4,5-dimethylthiophen-2-yl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 65245298
3-[(2,3-dimethylphenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 61200074
3-[(3-chlorophenyl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 62533279
(4R)-3-(pyridin-3-ylmethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 61200404
4-[3-(2-methylphenyl)propanoyl]thiomorpholine-3-carboxylic acid
CID 82901281
3-(3-phenoxypropylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 62379863
(4R)-3-(1-phenylethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 61189106
(4R)-3-(1,2,4-oxadiazol-3-ylmethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 106403333
(4R)-3-[[2-(trifluoromethyl)phenyl]carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 61181721

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylphenyl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-[(2-methylphenyl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid (CID 61204063) is 3-[(2-methylphenyl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-[(2-methylphenyl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-[(2-methylphenyl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid is Cc1ccccc1CNC(=O)N1CSCC1C(=O)O.
What is the InChIKey of 3-[(2-methylphenyl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is UCUVBQXOJQLRPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3S/c1-9-4-2-3-5-10(9)6-14-13(18)15-8-19-7-11(15)12(16)17/h2-5,11H,6-8H2,1H3,(H,14,18)(H,16,17).
What are the key properties of 3-[(2-methylphenyl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid?
3-[(2-methylphenyl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 280.35 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylphenyl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 61204063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).