4,5-dimethyl-N-[(E)-1-thiophen-2-ylpropylideneamino]thiophene-3-carboxamide

C14H16N2OS2 — CID 5412332

IUPAC4,5-dimethyl-N-[(E)-1-thiophen-2-ylpropylideneamino]thiophene-3-carboxamide
SMILESCC/C(=N\NC(=O)c1csc(C)c1C)c1cccs1
InChIInChI=1S/C14H16N2OS2/c1-4-12(13-6-5-7-18-13)15-16-14(17)11-8-19-10(3)9(11)2/h5-8H,4H2,1-3H3,(H,16,17)/b15-12+
InChIKeyHLKCANDTKGSSFD-NTCAYCPXSA-N
MW292.43 g/mol
LogP3.97
Rot. Bonds4

About 4,5-dimethyl-N-[(E)-1-thiophen-2-ylpropylideneamino]thiophene-3-carboxamide

4,5-dimethyl-N-[(E)-1-thiophen-2-ylpropylideneamino]thiophene-3-carboxamide (PubChem CID 5412332) has the molecular formula C14H16N2OS2 and a molecular weight of 292.43 g/mol. Its IUPAC name is 4,5-dimethyl-N-[(E)-1-thiophen-2-ylpropylideneamino]thiophene-3-carboxamide.

Molecular Properties

Compound Name4,5-dimethyl-N-[(E)-1-thiophen-2-ylpropylideneamino]thiophene-3-carboxamide
PubChem CID5412332
Molecular FormulaC14H16N2OS2
Molecular Weight292.43 g/mol
Exact Mass292.07
IUPAC Name4,5-dimethyl-N-[(E)-1-thiophen-2-ylpropylideneamino]thiophene-3-carboxamide
SMILESCC/C(=N\NC(=O)c1csc(C)c1C)c1cccs1
InChIInChI=1S/C14H16N2OS2/c1-4-12(13-6-5-7-18-13)15-16-14(17)11-8-19-10(3)9(11)2/h5-8H,4H2,1-3H3,(H,16,17)/b15-12+
InChIKeyHLKCANDTKGSSFD-NTCAYCPXSA-N
XLogP3.97
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 53.97
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)-1-thiophen-2-ylpropylideneamino]thiophene-3-carboxamide?
The IUPAC name of 4,5-dimethyl-N-[(E)-1-thiophen-2-ylpropylideneamino]thiophene-3-carboxamide (CID 5412332) is 4,5-dimethyl-N-[(E)-1-thiophen-2-ylpropylideneamino]thiophene-3-carboxamide.
What is the SMILES notation for 4,5-dimethyl-N-[(E)-1-thiophen-2-ylpropylideneamino]thiophene-3-carboxamide?
The canonical SMILES for 4,5-dimethyl-N-[(E)-1-thiophen-2-ylpropylideneamino]thiophene-3-carboxamide is CC/C(=N\NC(=O)c1csc(C)c1C)c1cccs1.
What is the InChIKey of 4,5-dimethyl-N-[(E)-1-thiophen-2-ylpropylideneamino]thiophene-3-carboxamide?
The InChIKey is HLKCANDTKGSSFD-NTCAYCPXSA-N. The full InChI is InChI=1S/C14H16N2OS2/c1-4-12(13-6-5-7-18-13)15-16-14(17)11-8-19-10(3)9(11)2/h5-8H,4H2,1-3H3,(H,16,17)/b15-12+.
What are the key properties of 4,5-dimethyl-N-[(E)-1-thiophen-2-ylpropylideneamino]thiophene-3-carboxamide?
4,5-dimethyl-N-[(E)-1-thiophen-2-ylpropylideneamino]thiophene-3-carboxamide has a molecular weight of 292.43 g/mol, XLogP of 3.97, 4 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)-1-thiophen-2-ylpropylideneamino]thiophene-3-carboxamide is sourced from PubChem (CID 5412332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).