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

C12H14N2O3S — CID 61196484

IUPAC(4R)-3-[(2-methylphenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
SMILESCc1ccccc1NC(=O)N1CSC[C@H]1C(=O)O
InChIInChI=1S/C12H14N2O3S/c1-8-4-2-3-5-9(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)/t10-/m0/s1
InChIKeyZGDIOJKJESFGMZ-JTQLQIEISA-N
MW266.32 g/mol
LogP1.99
Rot. Bonds2

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

(4R)-3-[(2-methylphenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid (PubChem CID 61196484) has the molecular formula C12H14N2O3S and a molecular weight of 266.32 g/mol. Its IUPAC name is (4R)-3-[(2-methylphenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4R)-3-[(2-methylphenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
PubChem CID61196484
Molecular FormulaC12H14N2O3S
Molecular Weight266.32 g/mol
Exact Mass266.07
IUPAC Name(4R)-3-[(2-methylphenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
SMILESCc1ccccc1NC(=O)N1CSC[C@H]1C(=O)O
InChIInChI=1S/C12H14N2O3S/c1-8-4-2-3-5-9(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)/t10-/m0/s1
InChIKeyZGDIOJKJESFGMZ-JTQLQIEISA-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

3-[(2,3-dimethylphenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 61200074
3-[(4-methyl-3-pyridinyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 63327691
(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
(4R)-3-(5,6,7,8-tetrahydronaphthalen-1-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 61181744
(4R)-3-[(2,5-difluoro-4-methylphenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 103586681
3-[(2-methylphenyl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 61204063
3-[(4-methylphenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 43437733
(4R)-3-[[2-(difluoromethoxy)phenyl]carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 61196141
3-[(2-bromo-4-methylphenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 61183423
(4R)-3-[(4-acetamidophenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 61183048
(2S)-4-hydroxy-1-[(2-methylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61196296

Frequently Asked Questions

What is the IUPAC name of (4R)-3-[(2-methylphenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (4R)-3-[(2-methylphenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid (CID 61196484) is (4R)-3-[(2-methylphenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (4R)-3-[(2-methylphenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (4R)-3-[(2-methylphenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid is Cc1ccccc1NC(=O)N1CSC[C@H]1C(=O)O.
What is the InChIKey of (4R)-3-[(2-methylphenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is ZGDIOJKJESFGMZ-JTQLQIEISA-N. The full InChI is InChI=1S/C12H14N2O3S/c1-8-4-2-3-5-9(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)/t10-/m0/s1.
What are the key properties of (4R)-3-[(2-methylphenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid?
(4R)-3-[(2-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 (4R)-3-[(2-methylphenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 61196484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).