N-(3-cyano-4,5-dimethylthiophen-2-yl)imidazole-1-carboxamide

C11H10N4OS — CID 81257291

IUPACN-(3-cyano-4,5-dimethylthiophen-2-yl)imidazole-1-carboxamide
SMILESCc1sc(NC(=O)n2ccnc2)c(C#N)c1C
InChIInChI=1S/C11H10N4OS/c1-7-8(2)17-10(9(7)5-12)14-11(16)15-4-3-13-6-15/h3-4,6H,1-2H3,(H,14,16)
InChIKeyALZWXBUCOZRYKX-UHFFFAOYSA-N
MW246.30 g/mol
LogP2.51
Rot. Bonds1

About N-(3-cyano-4,5-dimethylthiophen-2-yl)imidazole-1-carboxamide

N-(3-cyano-4,5-dimethylthiophen-2-yl)imidazole-1-carboxamide (PubChem CID 81257291) has the molecular formula C11H10N4OS and a molecular weight of 246.30 g/mol. Its IUPAC name is N-(3-cyano-4,5-dimethylthiophen-2-yl)imidazole-1-carboxamide.

Molecular Properties

Compound NameN-(3-cyano-4,5-dimethylthiophen-2-yl)imidazole-1-carboxamide
PubChem CID81257291
Molecular FormulaC11H10N4OS
Molecular Weight246.30 g/mol
Exact Mass246.06
IUPAC NameN-(3-cyano-4,5-dimethylthiophen-2-yl)imidazole-1-carboxamide
SMILESCc1sc(NC(=O)n2ccnc2)c(C#N)c1C
InChIInChI=1S/C11H10N4OS/c1-7-8(2)17-10(9(7)5-12)14-11(16)15-4-3-13-6-15/h3-4,6H,1-2H3,(H,14,16)
InChIKeyALZWXBUCOZRYKX-UHFFFAOYSA-N
XLogP2.51
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.30
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4,5-dimethylthiophen-2-yl)imidazole-1-carboxamide?
The IUPAC name of N-(3-cyano-4,5-dimethylthiophen-2-yl)imidazole-1-carboxamide (CID 81257291) is N-(3-cyano-4,5-dimethylthiophen-2-yl)imidazole-1-carboxamide.
What is the SMILES notation for N-(3-cyano-4,5-dimethylthiophen-2-yl)imidazole-1-carboxamide?
The canonical SMILES for N-(3-cyano-4,5-dimethylthiophen-2-yl)imidazole-1-carboxamide is Cc1sc(NC(=O)n2ccnc2)c(C#N)c1C.
What is the InChIKey of N-(3-cyano-4,5-dimethylthiophen-2-yl)imidazole-1-carboxamide?
The InChIKey is ALZWXBUCOZRYKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4OS/c1-7-8(2)17-10(9(7)5-12)14-11(16)15-4-3-13-6-15/h3-4,6H,1-2H3,(H,14,16).
What are the key properties of N-(3-cyano-4,5-dimethylthiophen-2-yl)imidazole-1-carboxamide?
N-(3-cyano-4,5-dimethylthiophen-2-yl)imidazole-1-carboxamide has a molecular weight of 246.30 g/mol, XLogP of 2.51, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4,5-dimethylthiophen-2-yl)imidazole-1-carboxamide is sourced from PubChem (CID 81257291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).