2-(dimethylamino)-3-(4-fluorophenyl)-N-propan-2-ylthieno[2,3-d]imidazole-5-carboxamide

C17H19FN4OS — CID 53200484

IUPAC2-(dimethylamino)-3-(4-fluorophenyl)-N-propan-2-ylthieno[2,3-d]imidazole-5-carboxamide
SMILESCC(C)NC(=O)c1cc2nc(N(C)C)n(-c3ccc(F)cc3)c2s1
InChIInChI=1S/C17H19FN4OS/c1-10(2)19-15(23)14-9-13-16(24-14)22(17(20-13)21(3)4)12-7-5-11(18)6-8-12/h5-10H,1-4H3,(H,19,23)
InChIKeyAMEFCLCJLSYKEZ-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.43
Rot. Bonds4

About 2-(dimethylamino)-3-(4-fluorophenyl)-N-propan-2-ylthieno[2,3-d]imidazole-5-carboxamide

2-(dimethylamino)-3-(4-fluorophenyl)-N-propan-2-ylthieno[2,3-d]imidazole-5-carboxamide (PubChem CID 53200484) has the molecular formula C17H19FN4OS and a molecular weight of 346.43 g/mol. Its IUPAC name is 2-(dimethylamino)-3-(4-fluorophenyl)-N-propan-2-ylthieno[2,3-d]imidazole-5-carboxamide.

Molecular Properties

Compound Name2-(dimethylamino)-3-(4-fluorophenyl)-N-propan-2-ylthieno[2,3-d]imidazole-5-carboxamide
PubChem CID53200484
Molecular FormulaC17H19FN4OS
Molecular Weight346.43 g/mol
Exact Mass346.13
IUPAC Name2-(dimethylamino)-3-(4-fluorophenyl)-N-propan-2-ylthieno[2,3-d]imidazole-5-carboxamide
SMILESCC(C)NC(=O)c1cc2nc(N(C)C)n(-c3ccc(F)cc3)c2s1
InChIInChI=1S/C17H19FN4OS/c1-10(2)19-15(23)14-9-13-16(24-14)22(17(20-13)21(3)4)12-7-5-11(18)6-8-12/h5-10H,1-4H3,(H,19,23)
InChIKeyAMEFCLCJLSYKEZ-UHFFFAOYSA-N
XLogP3.43
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-3-(4-fluorophenyl)-N-propan-2-ylthieno[2,3-d]imidazole-5-carboxamide?
The IUPAC name of 2-(dimethylamino)-3-(4-fluorophenyl)-N-propan-2-ylthieno[2,3-d]imidazole-5-carboxamide (CID 53200484) is 2-(dimethylamino)-3-(4-fluorophenyl)-N-propan-2-ylthieno[2,3-d]imidazole-5-carboxamide.
What is the SMILES notation for 2-(dimethylamino)-3-(4-fluorophenyl)-N-propan-2-ylthieno[2,3-d]imidazole-5-carboxamide?
The canonical SMILES for 2-(dimethylamino)-3-(4-fluorophenyl)-N-propan-2-ylthieno[2,3-d]imidazole-5-carboxamide is CC(C)NC(=O)c1cc2nc(N(C)C)n(-c3ccc(F)cc3)c2s1.
What is the InChIKey of 2-(dimethylamino)-3-(4-fluorophenyl)-N-propan-2-ylthieno[2,3-d]imidazole-5-carboxamide?
The InChIKey is AMEFCLCJLSYKEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4OS/c1-10(2)19-15(23)14-9-13-16(24-14)22(17(20-13)21(3)4)12-7-5-11(18)6-8-12/h5-10H,1-4H3,(H,19,23).
What are the key properties of 2-(dimethylamino)-3-(4-fluorophenyl)-N-propan-2-ylthieno[2,3-d]imidazole-5-carboxamide?
2-(dimethylamino)-3-(4-fluorophenyl)-N-propan-2-ylthieno[2,3-d]imidazole-5-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-3-(4-fluorophenyl)-N-propan-2-ylthieno[2,3-d]imidazole-5-carboxamide is sourced from PubChem (CID 53200484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).