ethyl 2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]acetate

C9H12N2O3S — CID 47257312

IUPACethyl 2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]acetate
SMILESCCOC(=O)CNC(=O)c1scnc1C
InChIInChI=1S/C9H12N2O3S/c1-3-14-7(12)4-10-9(13)8-6(2)11-5-15-8/h5H,3-4H2,1-2H3,(H,10,13)
InChIKeyPJVNTSYCYSUMKS-UHFFFAOYSA-N
MW228.27 g/mol
LogP0.74
Rot. Bonds4

About ethyl 2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]acetate

ethyl 2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]acetate (PubChem CID 47257312) has the molecular formula C9H12N2O3S and a molecular weight of 228.27 g/mol. Its IUPAC name is ethyl 2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]acetate
PubChem CID47257312
Molecular FormulaC9H12N2O3S
Molecular Weight228.27 g/mol
Exact Mass228.06
IUPAC Nameethyl 2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]acetate
SMILESCCOC(=O)CNC(=O)c1scnc1C
InChIInChI=1S/C9H12N2O3S/c1-3-14-7(12)4-10-9(13)8-6(2)11-5-15-8/h5H,3-4H2,1-2H3,(H,10,13)
InChIKeyPJVNTSYCYSUMKS-UHFFFAOYSA-N
XLogP0.74
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.27
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]acetate 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-[(4-methyl-1,3-thiazole-5-carbonyl)amino]acetate?
The IUPAC name of ethyl 2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]acetate (CID 47257312) is ethyl 2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]acetate.
What is the SMILES notation for ethyl 2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]acetate?
The canonical SMILES for ethyl 2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]acetate is CCOC(=O)CNC(=O)c1scnc1C.
What is the InChIKey of ethyl 2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]acetate?
The InChIKey is PJVNTSYCYSUMKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3S/c1-3-14-7(12)4-10-9(13)8-6(2)11-5-15-8/h5H,3-4H2,1-2H3,(H,10,13).
What are the key properties of ethyl 2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]acetate?
ethyl 2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]acetate has a molecular weight of 228.27 g/mol, XLogP of 0.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]acetate is sourced from PubChem (CID 47257312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).