4,5-dimethyl-N-(1-methylimidazol-4-yl)thiophene-3-carboxamide

C11H13N3OS — CID 154766458

IUPAC4,5-dimethyl-N-(1-methylimidazol-4-yl)thiophene-3-carboxamide
SMILESCc1scc(C(=O)Nc2cn(C)cn2)c1C
InChIInChI=1S/C11H13N3OS/c1-7-8(2)16-5-9(7)11(15)13-10-4-14(3)6-12-10/h4-6H,1-3H3,(H,13,15)
InChIKeyXRCJPWJACGQLQP-UHFFFAOYSA-N
MW235.31 g/mol
LogP2.35
Rot. Bonds2

About 4,5-dimethyl-N-(1-methylimidazol-4-yl)thiophene-3-carboxamide

4,5-dimethyl-N-(1-methylimidazol-4-yl)thiophene-3-carboxamide (PubChem CID 154766458) has the molecular formula C11H13N3OS and a molecular weight of 235.31 g/mol. Its IUPAC name is 4,5-dimethyl-N-(1-methylimidazol-4-yl)thiophene-3-carboxamide.

Molecular Properties

Compound Name4,5-dimethyl-N-(1-methylimidazol-4-yl)thiophene-3-carboxamide
PubChem CID154766458
Molecular FormulaC11H13N3OS
Molecular Weight235.31 g/mol
Exact Mass235.08
IUPAC Name4,5-dimethyl-N-(1-methylimidazol-4-yl)thiophene-3-carboxamide
SMILESCc1scc(C(=O)Nc2cn(C)cn2)c1C
InChIInChI=1S/C11H13N3OS/c1-7-8(2)16-5-9(7)11(15)13-10-4-14(3)6-12-10/h4-6H,1-3H3,(H,13,15)
InChIKeyXRCJPWJACGQLQP-UHFFFAOYSA-N
XLogP2.35
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-N-(1-methylimidazol-4-yl)thiophene-3-carboxamide?
The IUPAC name of 4,5-dimethyl-N-(1-methylimidazol-4-yl)thiophene-3-carboxamide (CID 154766458) is 4,5-dimethyl-N-(1-methylimidazol-4-yl)thiophene-3-carboxamide.
What is the SMILES notation for 4,5-dimethyl-N-(1-methylimidazol-4-yl)thiophene-3-carboxamide?
The canonical SMILES for 4,5-dimethyl-N-(1-methylimidazol-4-yl)thiophene-3-carboxamide is Cc1scc(C(=O)Nc2cn(C)cn2)c1C.
What is the InChIKey of 4,5-dimethyl-N-(1-methylimidazol-4-yl)thiophene-3-carboxamide?
The InChIKey is XRCJPWJACGQLQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3OS/c1-7-8(2)16-5-9(7)11(15)13-10-4-14(3)6-12-10/h4-6H,1-3H3,(H,13,15).
What are the key properties of 4,5-dimethyl-N-(1-methylimidazol-4-yl)thiophene-3-carboxamide?
4,5-dimethyl-N-(1-methylimidazol-4-yl)thiophene-3-carboxamide has a molecular weight of 235.31 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-N-(1-methylimidazol-4-yl)thiophene-3-carboxamide is sourced from PubChem (CID 154766458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).