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

C13H24N2O3S — CID 63781779

IUPAC2-ethyl-3-[methyl(pentyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
SMILESCCCCCN(C)C(=O)N1C(CC)SCC1C(=O)O
InChIInChI=1S/C13H24N2O3S/c1-4-6-7-8-14(3)13(18)15-10(12(16)17)9-19-11(15)5-2/h10-11H,4-9H2,1-3H3,(H,16,17)
InChIKeyXRYLOCAEFRYTGR-UHFFFAOYSA-N
MW288.41 g/mol
LogP2.47
Rot. Bonds6

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

2-ethyl-3-[methyl(pentyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid (PubChem CID 63781779) has the molecular formula C13H24N2O3S and a molecular weight of 288.41 g/mol. Its IUPAC name is 2-ethyl-3-[methyl(pentyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-3-[methyl(pentyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
PubChem CID63781779
Molecular FormulaC13H24N2O3S
Molecular Weight288.41 g/mol
Exact Mass288.15
IUPAC Name2-ethyl-3-[methyl(pentyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
SMILESCCCCCN(C)C(=O)N1C(CC)SCC1C(=O)O
InChIInChI=1S/C13H24N2O3S/c1-4-6-7-8-14(3)13(18)15-10(12(16)17)9-19-11(15)5-2/h10-11H,4-9H2,1-3H3,(H,16,17)
InChIKeyXRYLOCAEFRYTGR-UHFFFAOYSA-N
XLogP2.47
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.41
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-ethyl-3-[methyl(2-methylpropyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 63780350
3-[2,2-dimethylpropyl(methyl)carbamoyl]-2-ethyl-1,3-thiazolidine-4-carboxylic acid
CID 63781187
3-[3-(dimethylamino)propyl-ethylcarbamoyl]-2-ethyl-1,3-thiazolidine-4-carboxylic acid
CID 102995404
2-ethyl-3-nonanoyl-1,3-thiazolidine-4-carboxylic acid
CID 63792526
2-ethyl-3-pentanoyl-1,3-thiazolidine-4-carboxylic acid
CID 63792524
2-ethyl-3-[1-hydroxypropan-2-yl(methyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 104553162
3-[2-methoxyethyl(methyl)carbamoyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 63780750
2-ethyl-3-[methyl(2-thiophen-2-ylethyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 79488714
3-[cyclohexyl(methyl)carbamoyl]-2-ethyl-1,3-thiazolidine-4-carboxylic acid
CID 63780503
2-ethyl-3-[methyl(1-methylsulfanylpropan-2-yl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 112662886
3-[cyclopropyl(3-methylbutyl)carbamoyl]-2-ethyl-1,3-thiazolidine-4-carboxylic acid
CID 78950757
2-ethyl-3-[methyl(pyridin-3-ylmethyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 63780902

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-[methyl(pentyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 2-ethyl-3-[methyl(pentyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid (CID 63781779) is 2-ethyl-3-[methyl(pentyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 2-ethyl-3-[methyl(pentyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 2-ethyl-3-[methyl(pentyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid is CCCCCN(C)C(=O)N1C(CC)SCC1C(=O)O.
What is the InChIKey of 2-ethyl-3-[methyl(pentyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is XRYLOCAEFRYTGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3S/c1-4-6-7-8-14(3)13(18)15-10(12(16)17)9-19-11(15)5-2/h10-11H,4-9H2,1-3H3,(H,16,17).
What are the key properties of 2-ethyl-3-[methyl(pentyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid?
2-ethyl-3-[methyl(pentyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 288.41 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-[methyl(pentyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 63781779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).