ethyl 2-(furan-2-carbonylimino)-3,4-dimethyl-1,3-thiazole-5-carboxylate

C13H14N2O4S — CID 4576653

IUPACethyl 2-(furan-2-carbonylimino)-3,4-dimethyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1s/c(=N\C(=O)c2ccco2)n(C)c1C
InChIInChI=1S/C13H14N2O4S/c1-4-18-12(17)10-8(2)15(3)13(20-10)14-11(16)9-6-5-7-19-9/h5-7H,4H2,1-3H3/b14-13-
InChIKeyRRXXHEWNFIKRFH-YPKPFQOOSA-N
MW294.33 g/mol
LogP1.91
Rot. Bonds3

About ethyl 2-(furan-2-carbonylimino)-3,4-dimethyl-1,3-thiazole-5-carboxylate

ethyl 2-(furan-2-carbonylimino)-3,4-dimethyl-1,3-thiazole-5-carboxylate (PubChem CID 4576653) has the molecular formula C13H14N2O4S and a molecular weight of 294.33 g/mol. Its IUPAC name is ethyl 2-(furan-2-carbonylimino)-3,4-dimethyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-(furan-2-carbonylimino)-3,4-dimethyl-1,3-thiazole-5-carboxylate
PubChem CID4576653
Molecular FormulaC13H14N2O4S
Molecular Weight294.33 g/mol
Exact Mass294.07
IUPAC Nameethyl 2-(furan-2-carbonylimino)-3,4-dimethyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1s/c(=N\C(=O)c2ccco2)n(C)c1C
InChIInChI=1S/C13H14N2O4S/c1-4-18-12(17)10-8(2)15(3)13(20-10)14-11(16)9-6-5-7-19-9/h5-7H,4H2,1-3H3/b14-13-
InChIKeyRRXXHEWNFIKRFH-YPKPFQOOSA-N
XLogP1.91
TPSA73.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}

Analyze ethyl 2-(furan-2-carbonylimino)-3,4-dimethyl-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-carbonylimino)-3,4-dimethyl-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-(furan-2-carbonylimino)-3,4-dimethyl-1,3-thiazole-5-carboxylate (CID 4576653) is ethyl 2-(furan-2-carbonylimino)-3,4-dimethyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-(furan-2-carbonylimino)-3,4-dimethyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-(furan-2-carbonylimino)-3,4-dimethyl-1,3-thiazole-5-carboxylate is CCOC(=O)c1s/c(=N\C(=O)c2ccco2)n(C)c1C.
What is the InChIKey of ethyl 2-(furan-2-carbonylimino)-3,4-dimethyl-1,3-thiazole-5-carboxylate?
The InChIKey is RRXXHEWNFIKRFH-YPKPFQOOSA-N. The full InChI is InChI=1S/C13H14N2O4S/c1-4-18-12(17)10-8(2)15(3)13(20-10)14-11(16)9-6-5-7-19-9/h5-7H,4H2,1-3H3/b14-13-.
What are the key properties of ethyl 2-(furan-2-carbonylimino)-3,4-dimethyl-1,3-thiazole-5-carboxylate?
ethyl 2-(furan-2-carbonylimino)-3,4-dimethyl-1,3-thiazole-5-carboxylate has a molecular weight of 294.33 g/mol, XLogP of 1.91, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(furan-2-carbonylimino)-3,4-dimethyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 4576653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).