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

C12H14N2O3S — CID 43437733

IUPAC3-[(4-methylphenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
SMILESCc1ccc(NC(=O)N2CSCC2C(=O)O)cc1
InChIInChI=1S/C12H14N2O3S/c1-8-2-4-9(5-3-8)13-12(17)14-7-18-6-10(14)11(15)16/h2-5,10H,6-7H2,1H3,(H,13,17)(H,15,16)
InChIKeyTZFYRKKJVAIPAA-UHFFFAOYSA-N
MW266.32 g/mol
LogP1.99
Rot. Bonds2

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

3-[(4-methylphenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid (PubChem CID 43437733) has the molecular formula C12H14N2O3S and a molecular weight of 266.32 g/mol. Its IUPAC name is 3-[(4-methylphenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-[(4-methylphenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
PubChem CID43437733
Molecular FormulaC12H14N2O3S
Molecular Weight266.32 g/mol
Exact Mass266.07
IUPAC Name3-[(4-methylphenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
SMILESCc1ccc(NC(=O)N2CSCC2C(=O)O)cc1
InChIInChI=1S/C12H14N2O3S/c1-8-2-4-9(5-3-8)13-12(17)14-7-18-6-10(14)11(15)16/h2-5,10H,6-7H2,1H3,(H,13,17)(H,15,16)
InChIKeyTZFYRKKJVAIPAA-UHFFFAOYSA-N
XLogP1.99
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-3-[(4-acetamidophenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 61183048
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-fluoro-3-methylphenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 62814100
3-[(4-sulfamoylphenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 61185499
3-[(2-bromo-4-methylphenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 61183423
3-acetyl-N-(4-methylphenyl)-1,3-thiazolidine-4-carboxamide
CID 42744636
(4R)-3-[(2-methylphenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 61196484
(4R)-3-[(4-bromo-3-fluorophenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 65437388
3-[(4-bromo-3-fluorophenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 65436999
4-[2-(4-methylanilino)-2-oxoacetyl]thiomorpholine-3-carboxylic acid
CID 82901774
3-[(2,3-dimethylphenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 61200074

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methylphenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-[(4-methylphenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid (CID 43437733) is 3-[(4-methylphenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-[(4-methylphenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-[(4-methylphenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid is Cc1ccc(NC(=O)N2CSCC2C(=O)O)cc1.
What is the InChIKey of 3-[(4-methylphenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is TZFYRKKJVAIPAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3S/c1-8-2-4-9(5-3-8)13-12(17)14-7-18-6-10(14)11(15)16/h2-5,10H,6-7H2,1H3,(H,13,17)(H,15,16).
What are the key properties of 3-[(4-methylphenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid?
3-[(4-methylphenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 266.32 g/mol, XLogP of 1.99, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methylphenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 43437733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).