3-(4-fluorophenyl)-N-(1-methylpiperidin-4-yl)-2-methylsulfanylimidazole-4-carboxamide

C17H21FN4OS — CID 78809507

IUPAC3-(4-fluorophenyl)-N-(1-methylpiperidin-4-yl)-2-methylsulfanylimidazole-4-carboxamide
SMILESCSc1ncc(C(=O)NC2CCN(C)CC2)n1-c1ccc(F)cc1
InChIInChI=1S/C17H21FN4OS/c1-21-9-7-13(8-10-21)20-16(23)15-11-19-17(24-2)22(15)14-5-3-12(18)4-6-14/h3-6,11,13H,7-10H2,1-2H3,(H,20,23)
InChIKeyJVRVXRPKGRITBE-UHFFFAOYSA-N
MW348.45 g/mol
LogP2.56
Rot. Bonds4

About 3-(4-fluorophenyl)-N-(1-methylpiperidin-4-yl)-2-methylsulfanylimidazole-4-carboxamide

3-(4-fluorophenyl)-N-(1-methylpiperidin-4-yl)-2-methylsulfanylimidazole-4-carboxamide (PubChem CID 78809507) has the molecular formula C17H21FN4OS and a molecular weight of 348.45 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-(1-methylpiperidin-4-yl)-2-methylsulfanylimidazole-4-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-(1-methylpiperidin-4-yl)-2-methylsulfanylimidazole-4-carboxamide
PubChem CID78809507
Molecular FormulaC17H21FN4OS
Molecular Weight348.45 g/mol
Exact Mass348.14
IUPAC Name3-(4-fluorophenyl)-N-(1-methylpiperidin-4-yl)-2-methylsulfanylimidazole-4-carboxamide
SMILESCSc1ncc(C(=O)NC2CCN(C)CC2)n1-c1ccc(F)cc1
InChIInChI=1S/C17H21FN4OS/c1-21-9-7-13(8-10-21)20-16(23)15-11-19-17(24-2)22(15)14-5-3-12(18)4-6-14/h3-6,11,13H,7-10H2,1-2H3,(H,20,23)
InChIKeyJVRVXRPKGRITBE-UHFFFAOYSA-N
XLogP2.56
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(4-fluorophenyl)-N-(1-methylpiperidin-4-yl)-2-methylsulfanylimidazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-fluorophenyl)-N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-methylsulfanylimidazole-4-carboxamide
CID 38199545
3-(4-fluorophenyl)-2-methylsulfanyl-N-propan-2-ylimidazole-4-carboxamide
CID 18124051
N-cyclopropyl-2-[4-[3-(4-fluorophenyl)-2-methylsulfanylimidazole-4-carbonyl]piperazin-1-yl]acetamide
CID 24642712
3-(4-fluorophenyl)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-2-methylsulfanylimidazole-4-carboxamide
CID 55395244
N-(4-acetamidophenyl)-3-(4-fluorophenyl)-2-methylsulfanylimidazole-4-carboxamide
CID 34316971
N-[1-(furan-2-carbonyl)piperidin-4-yl]-2-methylsulfanyl-3-phenylimidazole-4-carboxamide
CID 134000431
[1-(cyclopropylcarbamoylamino)-1-oxopropan-2-yl] 3-(4-fluorophenyl)-2-methylsulfanylimidazole-4-carboxylate
CID 16575470
N'-benzoyl-3-(4-fluorophenyl)-2-methylsulfanylimidazole-4-carbohydrazide
CID 30532232
[4-(dimethylamino)piperidin-1-yl]-[3-(4-fluorophenyl)-2-methylsulfanylimidazol-4-yl]methanone
CID 60579827
[3-(4-fluorophenyl)-2-methylsulfanylimidazol-4-yl]-(3-hydroxypiperidin-1-yl)methanone
CID 110878395
N-[2-[(2-fluorobenzoyl)amino]ethyl]-3-(4-fluorophenyl)-2-methylsulfanylimidazole-4-carboxamide
CID 55973799
3-(4-fluorophenyl)-2-methylsulfanyl-N-[2-oxo-2-(propylamino)ethyl]imidazole-4-carboxamide
CID 24642187

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-(1-methylpiperidin-4-yl)-2-methylsulfanylimidazole-4-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)-N-(1-methylpiperidin-4-yl)-2-methylsulfanylimidazole-4-carboxamide (CID 78809507) is 3-(4-fluorophenyl)-N-(1-methylpiperidin-4-yl)-2-methylsulfanylimidazole-4-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-(1-methylpiperidin-4-yl)-2-methylsulfanylimidazole-4-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-(1-methylpiperidin-4-yl)-2-methylsulfanylimidazole-4-carboxamide is CSc1ncc(C(=O)NC2CCN(C)CC2)n1-c1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-N-(1-methylpiperidin-4-yl)-2-methylsulfanylimidazole-4-carboxamide?
The InChIKey is JVRVXRPKGRITBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4OS/c1-21-9-7-13(8-10-21)20-16(23)15-11-19-17(24-2)22(15)14-5-3-12(18)4-6-14/h3-6,11,13H,7-10H2,1-2H3,(H,20,23).
What are the key properties of 3-(4-fluorophenyl)-N-(1-methylpiperidin-4-yl)-2-methylsulfanylimidazole-4-carboxamide?
3-(4-fluorophenyl)-N-(1-methylpiperidin-4-yl)-2-methylsulfanylimidazole-4-carboxamide has a molecular weight of 348.45 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-(1-methylpiperidin-4-yl)-2-methylsulfanylimidazole-4-carboxamide is sourced from PubChem (CID 78809507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).