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

C12H12N2O4S — CID 673694

IUPACethyl 2-(furan-2-carbonylamino)-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)c2ccco2)nc1C
InChIInChI=1S/C12H12N2O4S/c1-3-17-11(16)9-7(2)13-12(19-9)14-10(15)8-5-4-6-18-8/h4-6H,3H2,1-2H3,(H,13,14,15)
InChIKeyPAXNAYMOZRVTLG-UHFFFAOYSA-N
MW280.30 g/mol
LogP2.47
Rot. Bonds4

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

ethyl 2-(furan-2-carbonylamino)-4-methyl-1,3-thiazole-5-carboxylate (PubChem CID 673694) has the molecular formula C12H12N2O4S and a molecular weight of 280.30 g/mol. Its IUPAC name is ethyl 2-(furan-2-carbonylamino)-4-methyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-(furan-2-carbonylamino)-4-methyl-1,3-thiazole-5-carboxylate
PubChem CID673694
Molecular FormulaC12H12N2O4S
Molecular Weight280.30 g/mol
Exact Mass280.05
IUPAC Nameethyl 2-(furan-2-carbonylamino)-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)c2ccco2)nc1C
InChIInChI=1S/C12H12N2O4S/c1-3-17-11(16)9-7(2)13-12(19-9)14-10(15)8-5-4-6-18-8/h4-6H,3H2,1-2H3,(H,13,14,15)
InChIKeyPAXNAYMOZRVTLG-UHFFFAOYSA-N
XLogP2.47
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 2-(furan-2-carbonylamino)-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-(furan-2-carbonylamino)-4-methyl-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-(furan-2-carbonylamino)-4-methyl-1,3-thiazole-5-carboxylate (CID 673694) is ethyl 2-(furan-2-carbonylamino)-4-methyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-(furan-2-carbonylamino)-4-methyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-(furan-2-carbonylamino)-4-methyl-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(NC(=O)c2ccco2)nc1C.
What is the InChIKey of ethyl 2-(furan-2-carbonylamino)-4-methyl-1,3-thiazole-5-carboxylate?
The InChIKey is PAXNAYMOZRVTLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O4S/c1-3-17-11(16)9-7(2)13-12(19-9)14-10(15)8-5-4-6-18-8/h4-6H,3H2,1-2H3,(H,13,14,15).
What are the key properties of ethyl 2-(furan-2-carbonylamino)-4-methyl-1,3-thiazole-5-carboxylate?
ethyl 2-(furan-2-carbonylamino)-4-methyl-1,3-thiazole-5-carboxylate has a molecular weight of 280.30 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(furan-2-carbonylamino)-4-methyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 673694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).