N-[2-methyl-3-(4-thiophen-2-yl-1,3-thiazol-2-yl)imidazol-4-yl]furan-2-carboxamide

C16H12N4O2S2 — CID 51700832

IUPACN-[2-methyl-3-(4-thiophen-2-yl-1,3-thiazol-2-yl)imidazol-4-yl]furan-2-carboxamide
SMILESCc1ncc(NC(=O)c2ccco2)n1-c1nc(-c2cccs2)cs1
InChIInChI=1S/C16H12N4O2S2/c1-10-17-8-14(19-15(21)12-4-2-6-22-12)20(10)16-18-11(9-24-16)13-5-3-7-23-13/h2-9H,1H3,(H,19,21)
InChIKeyZDOINHPSXUAYSB-UHFFFAOYSA-N
MW356.43 g/mol
LogP4.21
Rot. Bonds4

About N-[2-methyl-3-(4-thiophen-2-yl-1,3-thiazol-2-yl)imidazol-4-yl]furan-2-carboxamide

N-[2-methyl-3-(4-thiophen-2-yl-1,3-thiazol-2-yl)imidazol-4-yl]furan-2-carboxamide (PubChem CID 51700832) has the molecular formula C16H12N4O2S2 and a molecular weight of 356.43 g/mol. Its IUPAC name is N-[2-methyl-3-(4-thiophen-2-yl-1,3-thiazol-2-yl)imidazol-4-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-methyl-3-(4-thiophen-2-yl-1,3-thiazol-2-yl)imidazol-4-yl]furan-2-carboxamide
PubChem CID51700832
Molecular FormulaC16H12N4O2S2
Molecular Weight356.43 g/mol
Exact Mass356.04
IUPAC NameN-[2-methyl-3-(4-thiophen-2-yl-1,3-thiazol-2-yl)imidazol-4-yl]furan-2-carboxamide
SMILESCc1ncc(NC(=O)c2ccco2)n1-c1nc(-c2cccs2)cs1
InChIInChI=1S/C16H12N4O2S2/c1-10-17-8-14(19-15(21)12-4-2-6-22-12)20(10)16-18-11(9-24-16)13-5-3-7-23-13/h2-9H,1H3,(H,19,21)
InChIKeyZDOINHPSXUAYSB-UHFFFAOYSA-N
XLogP4.21
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[2-methyl-3-(4-thiophen-2-yl-1,3-thiazol-2-yl)imidazol-4-yl]furan-2-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 N-[2-methyl-3-(4-thiophen-2-yl-1,3-thiazol-2-yl)imidazol-4-yl]furan-2-carboxamide?
The IUPAC name of N-[2-methyl-3-(4-thiophen-2-yl-1,3-thiazol-2-yl)imidazol-4-yl]furan-2-carboxamide (CID 51700832) is N-[2-methyl-3-(4-thiophen-2-yl-1,3-thiazol-2-yl)imidazol-4-yl]furan-2-carboxamide.
What is the SMILES notation for N-[2-methyl-3-(4-thiophen-2-yl-1,3-thiazol-2-yl)imidazol-4-yl]furan-2-carboxamide?
The canonical SMILES for N-[2-methyl-3-(4-thiophen-2-yl-1,3-thiazol-2-yl)imidazol-4-yl]furan-2-carboxamide is Cc1ncc(NC(=O)c2ccco2)n1-c1nc(-c2cccs2)cs1.
What is the InChIKey of N-[2-methyl-3-(4-thiophen-2-yl-1,3-thiazol-2-yl)imidazol-4-yl]furan-2-carboxamide?
The InChIKey is ZDOINHPSXUAYSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O2S2/c1-10-17-8-14(19-15(21)12-4-2-6-22-12)20(10)16-18-11(9-24-16)13-5-3-7-23-13/h2-9H,1H3,(H,19,21).
What are the key properties of N-[2-methyl-3-(4-thiophen-2-yl-1,3-thiazol-2-yl)imidazol-4-yl]furan-2-carboxamide?
N-[2-methyl-3-(4-thiophen-2-yl-1,3-thiazol-2-yl)imidazol-4-yl]furan-2-carboxamide has a molecular weight of 356.43 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-3-(4-thiophen-2-yl-1,3-thiazol-2-yl)imidazol-4-yl]furan-2-carboxamide is sourced from PubChem (CID 51700832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).