2-ethyl-3-(3-ethylpentan-2-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid

C14H26N2O3S — CID 63843413

IUPAC2-ethyl-3-(3-ethylpentan-2-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCCC(CC)C(C)NC(=O)N1C(CC)SCC1C(=O)O
InChIInChI=1S/C14H26N2O3S/c1-5-10(6-2)9(4)15-14(19)16-11(13(17)18)8-20-12(16)7-3/h9-12H,5-8H2,1-4H3,(H,15,19)(H,17,18)
InChIKeyISCYBCZJQZAVLZ-UHFFFAOYSA-N
MW302.44 g/mol
LogP2.76
Rot. Bonds6

About 2-ethyl-3-(3-ethylpentan-2-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid

2-ethyl-3-(3-ethylpentan-2-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 63843413) has the molecular formula C14H26N2O3S and a molecular weight of 302.44 g/mol. Its IUPAC name is 2-ethyl-3-(3-ethylpentan-2-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-3-(3-ethylpentan-2-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID63843413
Molecular FormulaC14H26N2O3S
Molecular Weight302.44 g/mol
Exact Mass302.17
IUPAC Name2-ethyl-3-(3-ethylpentan-2-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCCC(CC)C(C)NC(=O)N1C(CC)SCC1C(=O)O
InChIInChI=1S/C14H26N2O3S/c1-5-10(6-2)9(4)15-14(19)16-11(13(17)18)8-20-12(16)7-3/h9-12H,5-8H2,1-4H3,(H,15,19)(H,17,18)
InChIKeyISCYBCZJQZAVLZ-UHFFFAOYSA-N
XLogP2.76
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-ethyl-3-(3-ethylpentan-2-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3-ethylpentan-2-ylcarbamoyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63843748
2-ethyl-3-(1-methylsulfanylpropan-2-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 113472949
3-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoyl]-2-ethyl-1,3-thiazolidine-4-carboxylic acid
CID 63781123
2-ethyl-3-(1-ethylsulfanylpropan-2-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 113499285
2-ethyl-3-(ethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 63792402
3-(2,3-dimethylbutylcarbamoyl)-2-ethyl-1,3-thiazolidine-4-carboxylic acid
CID 64597399
2-ethyl-3-(1-thiophen-2-ylethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 63780542
2-ethyl-3-[1-(5-methylthiophen-2-yl)ethylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 63781307
2-ethyl-3-[(1-methylcyclopentyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 64687275
2-ethyl-3-[methyl(2-methylpropyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 63780350
2-ethyl-3-[(1-methylcyclohexyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 63781183
3-[(2R)-2-amino-3-methylbutanoyl]-2-ethyl-1,3-thiazolidine-4-carboxylic acid
CID 79013021

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-(3-ethylpentan-2-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 2-ethyl-3-(3-ethylpentan-2-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid (CID 63843413) is 2-ethyl-3-(3-ethylpentan-2-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 2-ethyl-3-(3-ethylpentan-2-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 2-ethyl-3-(3-ethylpentan-2-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid is CCC(CC)C(C)NC(=O)N1C(CC)SCC1C(=O)O.
What is the InChIKey of 2-ethyl-3-(3-ethylpentan-2-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is ISCYBCZJQZAVLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3S/c1-5-10(6-2)9(4)15-14(19)16-11(13(17)18)8-20-12(16)7-3/h9-12H,5-8H2,1-4H3,(H,15,19)(H,17,18).
What are the key properties of 2-ethyl-3-(3-ethylpentan-2-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid?
2-ethyl-3-(3-ethylpentan-2-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 302.44 g/mol, XLogP of 2.76, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-(3-ethylpentan-2-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 63843413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).