1-[(3-ethylimidazol-4-yl)methyl]-N-sulfamoylthieno[2,3-d]imidazole-5-carboxamide

C12H14N6O3S2 — CID 175848570

IUPAC1-[(3-ethylimidazol-4-yl)methyl]-N-sulfamoylthieno[2,3-d]imidazole-5-carboxamide
SMILESCCn1cncc1Cn1cnc2sc(C(=O)NS(N)(=O)=O)cc21
InChIInChI=1S/C12H14N6O3S2/c1-2-17-6-14-4-8(17)5-18-7-15-12-9(18)3-10(22-12)11(19)16-23(13,20)21/h3-4,6-7H,2,5H2,1H3,(H,16,19)(H2,13,20,21)
InChIKeyUGGUABLYZVAOSD-UHFFFAOYSA-N
MW354.42 g/mol
LogP0.30
Rot. Bonds5

About 1-[(3-ethylimidazol-4-yl)methyl]-N-sulfamoylthieno[2,3-d]imidazole-5-carboxamide

1-[(3-ethylimidazol-4-yl)methyl]-N-sulfamoylthieno[2,3-d]imidazole-5-carboxamide (PubChem CID 175848570) has the molecular formula C12H14N6O3S2 and a molecular weight of 354.42 g/mol. Its IUPAC name is 1-[(3-ethylimidazol-4-yl)methyl]-N-sulfamoylthieno[2,3-d]imidazole-5-carboxamide.

Molecular Properties

Compound Name1-[(3-ethylimidazol-4-yl)methyl]-N-sulfamoylthieno[2,3-d]imidazole-5-carboxamide
PubChem CID175848570
Molecular FormulaC12H14N6O3S2
Molecular Weight354.42 g/mol
Exact Mass354.06
IUPAC Name1-[(3-ethylimidazol-4-yl)methyl]-N-sulfamoylthieno[2,3-d]imidazole-5-carboxamide
SMILESCCn1cncc1Cn1cnc2sc(C(=O)NS(N)(=O)=O)cc21
InChIInChI=1S/C12H14N6O3S2/c1-2-17-6-14-4-8(17)5-18-7-15-12-9(18)3-10(22-12)11(19)16-23(13,20)21/h3-4,6-7H,2,5H2,1H3,(H,16,19)(H2,13,20,21)
InChIKeyUGGUABLYZVAOSD-UHFFFAOYSA-N
XLogP0.30
TPSA124.90 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.42
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1-[(3-ethylimidazol-4-yl)methyl]-N-sulfamoylthieno[2,3-d]imidazole-5-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 1-[(3-ethylimidazol-4-yl)methyl]-N-sulfamoylthieno[2,3-d]imidazole-5-carboxamide?
The IUPAC name of 1-[(3-ethylimidazol-4-yl)methyl]-N-sulfamoylthieno[2,3-d]imidazole-5-carboxamide (CID 175848570) is 1-[(3-ethylimidazol-4-yl)methyl]-N-sulfamoylthieno[2,3-d]imidazole-5-carboxamide.
What is the SMILES notation for 1-[(3-ethylimidazol-4-yl)methyl]-N-sulfamoylthieno[2,3-d]imidazole-5-carboxamide?
The canonical SMILES for 1-[(3-ethylimidazol-4-yl)methyl]-N-sulfamoylthieno[2,3-d]imidazole-5-carboxamide is CCn1cncc1Cn1cnc2sc(C(=O)NS(N)(=O)=O)cc21.
What is the InChIKey of 1-[(3-ethylimidazol-4-yl)methyl]-N-sulfamoylthieno[2,3-d]imidazole-5-carboxamide?
The InChIKey is UGGUABLYZVAOSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N6O3S2/c1-2-17-6-14-4-8(17)5-18-7-15-12-9(18)3-10(22-12)11(19)16-23(13,20)21/h3-4,6-7H,2,5H2,1H3,(H,16,19)(H2,13,20,21).
What are the key properties of 1-[(3-ethylimidazol-4-yl)methyl]-N-sulfamoylthieno[2,3-d]imidazole-5-carboxamide?
1-[(3-ethylimidazol-4-yl)methyl]-N-sulfamoylthieno[2,3-d]imidazole-5-carboxamide has a molecular weight of 354.42 g/mol, XLogP of 0.30, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-ethylimidazol-4-yl)methyl]-N-sulfamoylthieno[2,3-d]imidazole-5-carboxamide is sourced from PubChem (CID 175848570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).