3-[(4-ethylphenyl)carbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid

C14H18N2O3S — CID 63780154

IUPAC3-[(4-ethylphenyl)carbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid
SMILESCCc1ccc(NC(=O)N2C(C)SCC2C(=O)O)cc1
InChIInChI=1S/C14H18N2O3S/c1-3-10-4-6-11(7-5-10)15-14(19)16-9(2)20-8-12(16)13(17)18/h4-7,9,12H,3,8H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyOXIMONNKOSQRQF-UHFFFAOYSA-N
MW294.38 g/mol
LogP2.63
Rot. Bonds3

About 3-[(4-ethylphenyl)carbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid

3-[(4-ethylphenyl)carbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid (PubChem CID 63780154) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is 3-[(4-ethylphenyl)carbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-[(4-ethylphenyl)carbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid
PubChem CID63780154
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC Name3-[(4-ethylphenyl)carbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid
SMILESCCc1ccc(NC(=O)N2C(C)SCC2C(=O)O)cc1
InChIInChI=1S/C14H18N2O3S/c1-3-10-4-6-11(7-5-10)15-14(19)16-9(2)20-8-12(16)13(17)18/h4-7,9,12H,3,8H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyOXIMONNKOSQRQF-UHFFFAOYSA-N
XLogP2.63
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 ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3-[(4-methylphenyl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 63780516
2-methyl-3-(1H-pyrazol-4-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 63781609
3-[(4-cyanophenyl)carbamoyl]-2-ethyl-1,3-thiazolidine-4-carboxylic acid
CID 63780153
2,4-dimethyl-N-phenyl-1,3-thiazolidine-3-carboxamide
CID 134120823
2-methyl-3-(pyrimidin-2-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 55236879
(2S,4S)-1-[(4-ethylphenyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 64712537
3-[(2-bromophenyl)carbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 55237654
3-[(3,4-dichlorophenyl)carbamoyl]-2-ethyl-1,3-thiazolidine-4-carboxylic acid
CID 63782084
3-[(2,4-dichlorophenyl)carbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63793122
3-[(2-methoxyphenyl)carbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63791544
3-(3-ethylpentan-3-ylcarbamoyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 65042791
butyl (2R,4S)-3-[(4-ethylphenyl)carbamoyl]-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxylate
CID 7301832

Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethylphenyl)carbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-[(4-ethylphenyl)carbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid (CID 63780154) is 3-[(4-ethylphenyl)carbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-[(4-ethylphenyl)carbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-[(4-ethylphenyl)carbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid is CCc1ccc(NC(=O)N2C(C)SCC2C(=O)O)cc1.
What is the InChIKey of 3-[(4-ethylphenyl)carbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is OXIMONNKOSQRQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S/c1-3-10-4-6-11(7-5-10)15-14(19)16-9(2)20-8-12(16)13(17)18/h4-7,9,12H,3,8H2,1-2H3,(H,15,19)(H,17,18).
What are the key properties of 3-[(4-ethylphenyl)carbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid?
3-[(4-ethylphenyl)carbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 294.38 g/mol, XLogP of 2.63, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethylphenyl)carbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 63780154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).