4,5-dimethyl-N-[(E)-thiophen-3-ylmethylideneamino]thiophene-3-carboxamide

C12H12N2OS2 — CID 6875163

IUPAC4,5-dimethyl-N-[(E)-thiophen-3-ylmethylideneamino]thiophene-3-carboxamide
SMILESCc1scc(C(=O)N/N=C/c2ccsc2)c1C
InChIInChI=1S/C12H12N2OS2/c1-8-9(2)17-7-11(8)12(15)14-13-5-10-3-4-16-6-10/h3-7H,1-2H3,(H,14,15)/b13-5+
InChIKeySEFLPDGXFQMXCS-WLRTZDKTSA-N
MW264.38 g/mol
LogP3.19
Rot. Bonds3

About 4,5-dimethyl-N-[(E)-thiophen-3-ylmethylideneamino]thiophene-3-carboxamide

4,5-dimethyl-N-[(E)-thiophen-3-ylmethylideneamino]thiophene-3-carboxamide (PubChem CID 6875163) has the molecular formula C12H12N2OS2 and a molecular weight of 264.38 g/mol. Its IUPAC name is 4,5-dimethyl-N-[(E)-thiophen-3-ylmethylideneamino]thiophene-3-carboxamide.

Molecular Properties

Compound Name4,5-dimethyl-N-[(E)-thiophen-3-ylmethylideneamino]thiophene-3-carboxamide
PubChem CID6875163
Molecular FormulaC12H12N2OS2
Molecular Weight264.38 g/mol
Exact Mass264.04
IUPAC Name4,5-dimethyl-N-[(E)-thiophen-3-ylmethylideneamino]thiophene-3-carboxamide
SMILESCc1scc(C(=O)N/N=C/c2ccsc2)c1C
InChIInChI=1S/C12H12N2OS2/c1-8-9(2)17-7-11(8)12(15)14-13-5-10-3-4-16-6-10/h3-7H,1-2H3,(H,14,15)/b13-5+
InChIKeySEFLPDGXFQMXCS-WLRTZDKTSA-N
XLogP3.19
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.38
LogP ≤ 53.19
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'}

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-N-[(E)-thiophen-3-ylmethylideneamino]thiophene-3-carboxamide?
The IUPAC name of 4,5-dimethyl-N-[(E)-thiophen-3-ylmethylideneamino]thiophene-3-carboxamide (CID 6875163) is 4,5-dimethyl-N-[(E)-thiophen-3-ylmethylideneamino]thiophene-3-carboxamide.
What is the SMILES notation for 4,5-dimethyl-N-[(E)-thiophen-3-ylmethylideneamino]thiophene-3-carboxamide?
The canonical SMILES for 4,5-dimethyl-N-[(E)-thiophen-3-ylmethylideneamino]thiophene-3-carboxamide is Cc1scc(C(=O)N/N=C/c2ccsc2)c1C.
What is the InChIKey of 4,5-dimethyl-N-[(E)-thiophen-3-ylmethylideneamino]thiophene-3-carboxamide?
The InChIKey is SEFLPDGXFQMXCS-WLRTZDKTSA-N. The full InChI is InChI=1S/C12H12N2OS2/c1-8-9(2)17-7-11(8)12(15)14-13-5-10-3-4-16-6-10/h3-7H,1-2H3,(H,14,15)/b13-5+.
What are the key properties of 4,5-dimethyl-N-[(E)-thiophen-3-ylmethylideneamino]thiophene-3-carboxamide?
4,5-dimethyl-N-[(E)-thiophen-3-ylmethylideneamino]thiophene-3-carboxamide has a molecular weight of 264.38 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-N-[(E)-thiophen-3-ylmethylideneamino]thiophene-3-carboxamide is sourced from PubChem (CID 6875163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).