4-ethyl-5-methyl-N-[(E)-thiophen-3-ylmethylideneamino]thiophene-3-carboxamide

C13H14N2OS2 — CID 6162882

IUPAC4-ethyl-5-methyl-N-[(E)-thiophen-3-ylmethylideneamino]thiophene-3-carboxamide
SMILESCCc1c(C(=O)N/N=C/c2ccsc2)csc1C
InChIInChI=1S/C13H14N2OS2/c1-3-11-9(2)18-8-12(11)13(16)15-14-6-10-4-5-17-7-10/h4-8H,3H2,1-2H3,(H,15,16)/b14-6+
InChIKeyVNXQQDUROPYVIW-MKMNVTDBSA-N
MW278.40 g/mol
LogP3.44
Rot. Bonds4

About 4-ethyl-5-methyl-N-[(E)-thiophen-3-ylmethylideneamino]thiophene-3-carboxamide

4-ethyl-5-methyl-N-[(E)-thiophen-3-ylmethylideneamino]thiophene-3-carboxamide (PubChem CID 6162882) has the molecular formula C13H14N2OS2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 4-ethyl-5-methyl-N-[(E)-thiophen-3-ylmethylideneamino]thiophene-3-carboxamide.

Molecular Properties

Compound Name4-ethyl-5-methyl-N-[(E)-thiophen-3-ylmethylideneamino]thiophene-3-carboxamide
PubChem CID6162882
Molecular FormulaC13H14N2OS2
Molecular Weight278.40 g/mol
Exact Mass278.05
IUPAC Name4-ethyl-5-methyl-N-[(E)-thiophen-3-ylmethylideneamino]thiophene-3-carboxamide
SMILESCCc1c(C(=O)N/N=C/c2ccsc2)csc1C
InChIInChI=1S/C13H14N2OS2/c1-3-11-9(2)18-8-12(11)13(16)15-14-6-10-4-5-17-7-10/h4-8H,3H2,1-2H3,(H,15,16)/b14-6+
InChIKeyVNXQQDUROPYVIW-MKMNVTDBSA-N
XLogP3.44
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-ethyl-5-methyl-N-[(E)-thiophen-3-ylmethylideneamino]thiophene-3-carboxamide 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 4-ethyl-5-methyl-N-[(E)-thiophen-3-ylmethylideneamino]thiophene-3-carboxamide?
The IUPAC name of 4-ethyl-5-methyl-N-[(E)-thiophen-3-ylmethylideneamino]thiophene-3-carboxamide (CID 6162882) is 4-ethyl-5-methyl-N-[(E)-thiophen-3-ylmethylideneamino]thiophene-3-carboxamide.
What is the SMILES notation for 4-ethyl-5-methyl-N-[(E)-thiophen-3-ylmethylideneamino]thiophene-3-carboxamide?
The canonical SMILES for 4-ethyl-5-methyl-N-[(E)-thiophen-3-ylmethylideneamino]thiophene-3-carboxamide is CCc1c(C(=O)N/N=C/c2ccsc2)csc1C.
What is the InChIKey of 4-ethyl-5-methyl-N-[(E)-thiophen-3-ylmethylideneamino]thiophene-3-carboxamide?
The InChIKey is VNXQQDUROPYVIW-MKMNVTDBSA-N. The full InChI is InChI=1S/C13H14N2OS2/c1-3-11-9(2)18-8-12(11)13(16)15-14-6-10-4-5-17-7-10/h4-8H,3H2,1-2H3,(H,15,16)/b14-6+.
What are the key properties of 4-ethyl-5-methyl-N-[(E)-thiophen-3-ylmethylideneamino]thiophene-3-carboxamide?
4-ethyl-5-methyl-N-[(E)-thiophen-3-ylmethylideneamino]thiophene-3-carboxamide has a molecular weight of 278.40 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-methyl-N-[(E)-thiophen-3-ylmethylideneamino]thiophene-3-carboxamide is sourced from PubChem (CID 6162882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).