2-(dimethylamino)-3-phenyl-N-propan-2-ylthieno[2,3-d]imidazole-5-carboxamide

C17H20N4OS — CID 42957166

IUPAC2-(dimethylamino)-3-phenyl-N-propan-2-ylthieno[2,3-d]imidazole-5-carboxamide
SMILESCC(C)NC(=O)c1cc2nc(N(C)C)n(-c3ccccc3)c2s1
InChIInChI=1S/C17H20N4OS/c1-11(2)18-15(22)14-10-13-16(23-14)21(17(19-13)20(3)4)12-8-6-5-7-9-12/h5-11H,1-4H3,(H,18,22)
InChIKeyWYQAYKPFSUDDQP-UHFFFAOYSA-N
MW328.44 g/mol
LogP3.29
Rot. Bonds4

About 2-(dimethylamino)-3-phenyl-N-propan-2-ylthieno[2,3-d]imidazole-5-carboxamide

2-(dimethylamino)-3-phenyl-N-propan-2-ylthieno[2,3-d]imidazole-5-carboxamide (PubChem CID 42957166) has the molecular formula C17H20N4OS and a molecular weight of 328.44 g/mol. Its IUPAC name is 2-(dimethylamino)-3-phenyl-N-propan-2-ylthieno[2,3-d]imidazole-5-carboxamide.

Molecular Properties

Compound Name2-(dimethylamino)-3-phenyl-N-propan-2-ylthieno[2,3-d]imidazole-5-carboxamide
PubChem CID42957166
Molecular FormulaC17H20N4OS
Molecular Weight328.44 g/mol
Exact Mass328.14
IUPAC Name2-(dimethylamino)-3-phenyl-N-propan-2-ylthieno[2,3-d]imidazole-5-carboxamide
SMILESCC(C)NC(=O)c1cc2nc(N(C)C)n(-c3ccccc3)c2s1
InChIInChI=1S/C17H20N4OS/c1-11(2)18-15(22)14-10-13-16(23-14)21(17(19-13)20(3)4)12-8-6-5-7-9-12/h5-11H,1-4H3,(H,18,22)
InChIKeyWYQAYKPFSUDDQP-UHFFFAOYSA-N
XLogP3.29
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-3-phenyl-N-propan-2-ylthieno[2,3-d]imidazole-5-carboxamide?
The IUPAC name of 2-(dimethylamino)-3-phenyl-N-propan-2-ylthieno[2,3-d]imidazole-5-carboxamide (CID 42957166) is 2-(dimethylamino)-3-phenyl-N-propan-2-ylthieno[2,3-d]imidazole-5-carboxamide.
What is the SMILES notation for 2-(dimethylamino)-3-phenyl-N-propan-2-ylthieno[2,3-d]imidazole-5-carboxamide?
The canonical SMILES for 2-(dimethylamino)-3-phenyl-N-propan-2-ylthieno[2,3-d]imidazole-5-carboxamide is CC(C)NC(=O)c1cc2nc(N(C)C)n(-c3ccccc3)c2s1.
What is the InChIKey of 2-(dimethylamino)-3-phenyl-N-propan-2-ylthieno[2,3-d]imidazole-5-carboxamide?
The InChIKey is WYQAYKPFSUDDQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4OS/c1-11(2)18-15(22)14-10-13-16(23-14)21(17(19-13)20(3)4)12-8-6-5-7-9-12/h5-11H,1-4H3,(H,18,22).
What are the key properties of 2-(dimethylamino)-3-phenyl-N-propan-2-ylthieno[2,3-d]imidazole-5-carboxamide?
2-(dimethylamino)-3-phenyl-N-propan-2-ylthieno[2,3-d]imidazole-5-carboxamide has a molecular weight of 328.44 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-3-phenyl-N-propan-2-ylthieno[2,3-d]imidazole-5-carboxamide is sourced from PubChem (CID 42957166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).