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

C19H21FN4OS — CID 53200486

IUPACN-cyclopentyl-2-(dimethylamino)-3-(4-fluorophenyl)thieno[2,3-d]imidazole-5-carboxamide
SMILESCN(C)c1nc2cc(C(=O)NC3CCCC3)sc2n1-c1ccc(F)cc1
InChIInChI=1S/C19H21FN4OS/c1-23(2)19-22-15-11-16(17(25)21-13-5-3-4-6-13)26-18(15)24(19)14-9-7-12(20)8-10-14/h7-11,13H,3-6H2,1-2H3,(H,21,25)
InChIKeyBBYNIWXPDNSXRH-UHFFFAOYSA-N
MW372.47 g/mol
LogP3.96
Rot. Bonds4

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

N-cyclopentyl-2-(dimethylamino)-3-(4-fluorophenyl)thieno[2,3-d]imidazole-5-carboxamide (PubChem CID 53200486) has the molecular formula C19H21FN4OS and a molecular weight of 372.47 g/mol. Its IUPAC name is N-cyclopentyl-2-(dimethylamino)-3-(4-fluorophenyl)thieno[2,3-d]imidazole-5-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(dimethylamino)-3-(4-fluorophenyl)thieno[2,3-d]imidazole-5-carboxamide
PubChem CID53200486
Molecular FormulaC19H21FN4OS
Molecular Weight372.47 g/mol
Exact Mass372.14
IUPAC NameN-cyclopentyl-2-(dimethylamino)-3-(4-fluorophenyl)thieno[2,3-d]imidazole-5-carboxamide
SMILESCN(C)c1nc2cc(C(=O)NC3CCCC3)sc2n1-c1ccc(F)cc1
InChIInChI=1S/C19H21FN4OS/c1-23(2)19-22-15-11-16(17(25)21-13-5-3-4-6-13)26-18(15)24(19)14-9-7-12(20)8-10-14/h7-11,13H,3-6H2,1-2H3,(H,21,25)
InChIKeyBBYNIWXPDNSXRH-UHFFFAOYSA-N
XLogP3.96
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(dimethylamino)-3-(4-fluorophenyl)thieno[2,3-d]imidazole-5-carboxamide?
The IUPAC name of N-cyclopentyl-2-(dimethylamino)-3-(4-fluorophenyl)thieno[2,3-d]imidazole-5-carboxamide (CID 53200486) is N-cyclopentyl-2-(dimethylamino)-3-(4-fluorophenyl)thieno[2,3-d]imidazole-5-carboxamide.
What is the SMILES notation for N-cyclopentyl-2-(dimethylamino)-3-(4-fluorophenyl)thieno[2,3-d]imidazole-5-carboxamide?
The canonical SMILES for N-cyclopentyl-2-(dimethylamino)-3-(4-fluorophenyl)thieno[2,3-d]imidazole-5-carboxamide is CN(C)c1nc2cc(C(=O)NC3CCCC3)sc2n1-c1ccc(F)cc1.
What is the InChIKey of N-cyclopentyl-2-(dimethylamino)-3-(4-fluorophenyl)thieno[2,3-d]imidazole-5-carboxamide?
The InChIKey is BBYNIWXPDNSXRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4OS/c1-23(2)19-22-15-11-16(17(25)21-13-5-3-4-6-13)26-18(15)24(19)14-9-7-12(20)8-10-14/h7-11,13H,3-6H2,1-2H3,(H,21,25).
What are the key properties of N-cyclopentyl-2-(dimethylamino)-3-(4-fluorophenyl)thieno[2,3-d]imidazole-5-carboxamide?
N-cyclopentyl-2-(dimethylamino)-3-(4-fluorophenyl)thieno[2,3-d]imidazole-5-carboxamide has a molecular weight of 372.47 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(dimethylamino)-3-(4-fluorophenyl)thieno[2,3-d]imidazole-5-carboxamide is sourced from PubChem (CID 53200486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).