4,5-dimethyl-2-(thiophene-2-carbonylamino)thiophene-3-carboxamide

C12H12N2O2S2 — CID 673517

IUPAC4,5-dimethyl-2-(thiophene-2-carbonylamino)thiophene-3-carboxamide
SMILESCc1sc(NC(=O)c2cccs2)c(C(N)=O)c1C
InChIInChI=1S/C12H12N2O2S2/c1-6-7(2)18-12(9(6)10(13)15)14-11(16)8-4-3-5-17-8/h3-5H,1-2H3,(H2,13,15)(H,14,16)
InChIKeyOTIUGBVMROZGTK-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.78
Rot. Bonds3

About 4,5-dimethyl-2-(thiophene-2-carbonylamino)thiophene-3-carboxamide

4,5-dimethyl-2-(thiophene-2-carbonylamino)thiophene-3-carboxamide (PubChem CID 673517) has the molecular formula C12H12N2O2S2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 4,5-dimethyl-2-(thiophene-2-carbonylamino)thiophene-3-carboxamide.

Molecular Properties

Compound Name4,5-dimethyl-2-(thiophene-2-carbonylamino)thiophene-3-carboxamide
PubChem CID673517
Molecular FormulaC12H12N2O2S2
Molecular Weight280.37 g/mol
Exact Mass280.03
IUPAC Name4,5-dimethyl-2-(thiophene-2-carbonylamino)thiophene-3-carboxamide
SMILESCc1sc(NC(=O)c2cccs2)c(C(N)=O)c1C
InChIInChI=1S/C12H12N2O2S2/c1-6-7(2)18-12(9(6)10(13)15)14-11(16)8-4-3-5-17-8/h3-5H,1-2H3,(H2,13,15)(H,14,16)
InChIKeyOTIUGBVMROZGTK-UHFFFAOYSA-N
XLogP2.78
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4,5-dimethyl-2-(thiophene-2-carbonylamino)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 4,5-dimethyl-2-(thiophene-2-carbonylamino)thiophene-3-carboxamide?
The IUPAC name of 4,5-dimethyl-2-(thiophene-2-carbonylamino)thiophene-3-carboxamide (CID 673517) is 4,5-dimethyl-2-(thiophene-2-carbonylamino)thiophene-3-carboxamide.
What is the SMILES notation for 4,5-dimethyl-2-(thiophene-2-carbonylamino)thiophene-3-carboxamide?
The canonical SMILES for 4,5-dimethyl-2-(thiophene-2-carbonylamino)thiophene-3-carboxamide is Cc1sc(NC(=O)c2cccs2)c(C(N)=O)c1C.
What is the InChIKey of 4,5-dimethyl-2-(thiophene-2-carbonylamino)thiophene-3-carboxamide?
The InChIKey is OTIUGBVMROZGTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2S2/c1-6-7(2)18-12(9(6)10(13)15)14-11(16)8-4-3-5-17-8/h3-5H,1-2H3,(H2,13,15)(H,14,16).
What are the key properties of 4,5-dimethyl-2-(thiophene-2-carbonylamino)thiophene-3-carboxamide?
4,5-dimethyl-2-(thiophene-2-carbonylamino)thiophene-3-carboxamide has a molecular weight of 280.37 g/mol, XLogP of 2.78, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-(thiophene-2-carbonylamino)thiophene-3-carboxamide is sourced from PubChem (CID 673517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).