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

C17H19N3O4S — CID 17154612

IUPACethyl 2-(3-benzamidopropanoylamino)-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)CCNC(=O)c2ccccc2)nc1C
InChIInChI=1S/C17H19N3O4S/c1-3-24-16(23)14-11(2)19-17(25-14)20-13(21)9-10-18-15(22)12-7-5-4-6-8-12/h4-8H,3,9-10H2,1-2H3,(H,18,22)(H,19,20,21)
InChIKeyFXFHOICCXYAWNB-UHFFFAOYSA-N
MW361.42 g/mol
LogP2.39
Rot. Bonds7

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

ethyl 2-(3-benzamidopropanoylamino)-4-methyl-1,3-thiazole-5-carboxylate (PubChem CID 17154612) has the molecular formula C17H19N3O4S and a molecular weight of 361.42 g/mol. Its IUPAC name is ethyl 2-(3-benzamidopropanoylamino)-4-methyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-(3-benzamidopropanoylamino)-4-methyl-1,3-thiazole-5-carboxylate
PubChem CID17154612
Molecular FormulaC17H19N3O4S
Molecular Weight361.42 g/mol
Exact Mass361.11
IUPAC Nameethyl 2-(3-benzamidopropanoylamino)-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)CCNC(=O)c2ccccc2)nc1C
InChIInChI=1S/C17H19N3O4S/c1-3-24-16(23)14-11(2)19-17(25-14)20-13(21)9-10-18-15(22)12-7-5-4-6-8-12/h4-8H,3,9-10H2,1-2H3,(H,18,22)(H,19,20,21)
InChIKeyFXFHOICCXYAWNB-UHFFFAOYSA-N
XLogP2.39
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze ethyl 2-(3-benzamidopropanoylamino)-4-methyl-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 2-(3-benzamidopropanoylamino)-4-methyl-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-(3-benzamidopropanoylamino)-4-methyl-1,3-thiazole-5-carboxylate (CID 17154612) is ethyl 2-(3-benzamidopropanoylamino)-4-methyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-(3-benzamidopropanoylamino)-4-methyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-(3-benzamidopropanoylamino)-4-methyl-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(NC(=O)CCNC(=O)c2ccccc2)nc1C.
What is the InChIKey of ethyl 2-(3-benzamidopropanoylamino)-4-methyl-1,3-thiazole-5-carboxylate?
The InChIKey is FXFHOICCXYAWNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4S/c1-3-24-16(23)14-11(2)19-17(25-14)20-13(21)9-10-18-15(22)12-7-5-4-6-8-12/h4-8H,3,9-10H2,1-2H3,(H,18,22)(H,19,20,21).
What are the key properties of ethyl 2-(3-benzamidopropanoylamino)-4-methyl-1,3-thiazole-5-carboxylate?
ethyl 2-(3-benzamidopropanoylamino)-4-methyl-1,3-thiazole-5-carboxylate has a molecular weight of 361.42 g/mol, XLogP of 2.39, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-benzamidopropanoylamino)-4-methyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 17154612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).