2-methyl-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid

C11H17N5O3S — CID 63780468

IUPAC2-methyl-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
SMILESCC(NC(=O)N1C(C)SCC1C(=O)O)c1nncn1C
InChIInChI=1S/C11H17N5O3S/c1-6(9-14-12-5-15(9)3)13-11(19)16-7(2)20-4-8(16)10(17)18/h5-8H,4H2,1-3H3,(H,13,19)(H,17,18)
InChIKeyGQKQPIVRWWLKRA-UHFFFAOYSA-N
MW299.36 g/mol
LogP0.43
Rot. Bonds3

About 2-methyl-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid

2-methyl-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid (PubChem CID 63780468) has the molecular formula C11H17N5O3S and a molecular weight of 299.36 g/mol. Its IUPAC name is 2-methyl-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-methyl-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
PubChem CID63780468
Molecular FormulaC11H17N5O3S
Molecular Weight299.36 g/mol
Exact Mass299.11
IUPAC Name2-methyl-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
SMILESCC(NC(=O)N1C(C)SCC1C(=O)O)c1nncn1C
InChIInChI=1S/C11H17N5O3S/c1-6(9-14-12-5-15(9)3)13-11(19)16-7(2)20-4-8(16)10(17)18/h5-8H,4H2,1-3H3,(H,13,19)(H,17,18)
InChIKeyGQKQPIVRWWLKRA-UHFFFAOYSA-N
XLogP0.43
TPSA100.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-methyl-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]-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-[1-(4-bromophenyl)ethylcarbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63782017
(2R,5S)-2-ethyl-5-methyl-N-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-1-carboxamide
CID 98856004
(2R,5S)-2-ethyl-5-methyl-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-1-carboxamide
CID 97255946
2-methyl-3-(1-pyridin-2-ylethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 63780714
4-methyl-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
CID 114390593
N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]thiomorpholine-4-carboxamide
CID 94119922
3-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 106346742
2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 64817909
2-[1-[1-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]pyrrolidin-2-yl]acetic acid
CID 62118143
4-(2-amino-2-oxoethyl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-1-carboxamide
CID 71892968
2-[3-methyl-1-[1-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]azetidin-3-yl]oxyacetic acid
CID 102658850
(2S)-2-methyl-N-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2,3-dihydroindole-1-carboxamide
CID 94120119

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 2-methyl-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid (CID 63780468) is 2-methyl-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 2-methyl-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 2-methyl-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid is CC(NC(=O)N1C(C)SCC1C(=O)O)c1nncn1C.
What is the InChIKey of 2-methyl-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is GQKQPIVRWWLKRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O3S/c1-6(9-14-12-5-15(9)3)13-11(19)16-7(2)20-4-8(16)10(17)18/h5-8H,4H2,1-3H3,(H,13,19)(H,17,18).
What are the key properties of 2-methyl-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid?
2-methyl-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 299.36 g/mol, XLogP of 0.43, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 63780468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).