ethyl 4-methyl-2-(propanoylamino)-1,3-thiazole-5-carboxylate

C10H14N2O3S — CID 718607

IUPACethyl 4-methyl-2-(propanoylamino)-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)CC)nc1C
InChIInChI=1S/C10H14N2O3S/c1-4-7(13)12-10-11-6(3)8(16-10)9(14)15-5-2/h4-5H2,1-3H3,(H,11,12,13)
InChIKeyARGNMISXQRRJMU-UHFFFAOYSA-N
MW242.30 g/mol
LogP1.98
Rot. Bonds4

About ethyl 4-methyl-2-(propanoylamino)-1,3-thiazole-5-carboxylate

ethyl 4-methyl-2-(propanoylamino)-1,3-thiazole-5-carboxylate (PubChem CID 718607) has the molecular formula C10H14N2O3S and a molecular weight of 242.30 g/mol. Its IUPAC name is ethyl 4-methyl-2-(propanoylamino)-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-methyl-2-(propanoylamino)-1,3-thiazole-5-carboxylate
PubChem CID718607
Molecular FormulaC10H14N2O3S
Molecular Weight242.30 g/mol
Exact Mass242.07
IUPAC Nameethyl 4-methyl-2-(propanoylamino)-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)CC)nc1C
InChIInChI=1S/C10H14N2O3S/c1-4-7(13)12-10-11-6(3)8(16-10)9(14)15-5-2/h4-5H2,1-3H3,(H,11,12,13)
InChIKeyARGNMISXQRRJMU-UHFFFAOYSA-N
XLogP1.98
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 4-methyl-2-(propanoylamino)-1,3-thiazole-5-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 4-methyl-2-(propanoylamino)-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 4-methyl-2-(propanoylamino)-1,3-thiazole-5-carboxylate (CID 718607) is ethyl 4-methyl-2-(propanoylamino)-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 4-methyl-2-(propanoylamino)-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 4-methyl-2-(propanoylamino)-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(NC(=O)CC)nc1C.
What is the InChIKey of ethyl 4-methyl-2-(propanoylamino)-1,3-thiazole-5-carboxylate?
The InChIKey is ARGNMISXQRRJMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3S/c1-4-7(13)12-10-11-6(3)8(16-10)9(14)15-5-2/h4-5H2,1-3H3,(H,11,12,13).
What are the key properties of ethyl 4-methyl-2-(propanoylamino)-1,3-thiazole-5-carboxylate?
ethyl 4-methyl-2-(propanoylamino)-1,3-thiazole-5-carboxylate has a molecular weight of 242.30 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methyl-2-(propanoylamino)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 718607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).