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

C14H18N2O3S — CID 63780516

IUPAC2-methyl-3-[(4-methylphenyl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
SMILESCc1ccc(CNC(=O)N2C(C)SCC2C(=O)O)cc1
InChIInChI=1S/C14H18N2O3S/c1-9-3-5-11(6-4-9)7-15-14(19)16-10(2)20-8-12(16)13(17)18/h3-6,10,12H,7-8H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyGQNAYACNBZRNPE-UHFFFAOYSA-N
MW294.38 g/mol
LogP2.05
Rot. Bonds3

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

2-methyl-3-[(4-methylphenyl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid (PubChem CID 63780516) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is 2-methyl-3-[(4-methylphenyl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-methyl-3-[(4-methylphenyl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
PubChem CID63780516
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC Name2-methyl-3-[(4-methylphenyl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
SMILESCc1ccc(CNC(=O)N2C(C)SCC2C(=O)O)cc1
InChIInChI=1S/C14H18N2O3S/c1-9-3-5-11(6-4-9)7-15-14(19)16-10(2)20-8-12(16)13(17)18/h3-6,10,12H,7-8H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyGQNAYACNBZRNPE-UHFFFAOYSA-N
XLogP2.05
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(5-ethylthiophen-2-yl)methylcarbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 106005669
2-methyl-3-[(2-methylpyrimidin-4-yl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 63780826
2-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 63780770
3-[(2-methoxyphenyl)methylcarbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63791709
3-[(2,5-difluorophenyl)methylcarbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63775639
(2R,4S)-3-acetyl-2-(4-methylphenyl)-N-[(4-methylphenyl)methyl]-1,3-thiazolidine-4-carboxamide
CID 7323795
(2S,4R)-3-acetyl-2-(4-methylphenyl)-N-[(4-methylphenyl)methyl]-1,3-thiazolidine-4-carboxamide
CID 7323796
(1R,6S)-6-[(4-methylphenyl)methylcarbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 7728149
3-[2-(dimethylamino)ethylcarbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63792064
3-[[2-(ethylamino)-2-oxoethyl]carbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63781441
2-methyl-3-(3-methylbutylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 55235905
2-methyl-3-[[3-(methylamino)-3-oxopropyl]carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 63781178

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(4-methylphenyl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 2-methyl-3-[(4-methylphenyl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid (CID 63780516) is 2-methyl-3-[(4-methylphenyl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 2-methyl-3-[(4-methylphenyl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 2-methyl-3-[(4-methylphenyl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid is Cc1ccc(CNC(=O)N2C(C)SCC2C(=O)O)cc1.
What is the InChIKey of 2-methyl-3-[(4-methylphenyl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is GQNAYACNBZRNPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S/c1-9-3-5-11(6-4-9)7-15-14(19)16-10(2)20-8-12(16)13(17)18/h3-6,10,12H,7-8H2,1-2H3,(H,15,19)(H,17,18).
What are the key properties of 2-methyl-3-[(4-methylphenyl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid?
2-methyl-3-[(4-methylphenyl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 294.38 g/mol, XLogP of 2.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(4-methylphenyl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 63780516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).