N-(3-fluorophenyl)-4-(1H-imidazol-5-yl)piperidine-1-carbothioamide

C15H17FN4S — CID 10685941

IUPACN-(3-fluorophenyl)-4-(1H-imidazol-5-yl)piperidine-1-carbothioamide
SMILESFc1cccc(NC(=S)N2CCC(c3cnc[nH]3)CC2)c1
InChIInChI=1S/C15H17FN4S/c16-12-2-1-3-13(8-12)19-15(21)20-6-4-11(5-7-20)14-9-17-10-18-14/h1-3,8-11H,4-7H2,(H,17,18)(H,19,21)
InChIKeyFHHKJLWFZDIBNU-UHFFFAOYSA-N
MW304.39 g/mol
LogP3.13
Rot. Bonds2

About N-(3-fluorophenyl)-4-(1H-imidazol-5-yl)piperidine-1-carbothioamide

N-(3-fluorophenyl)-4-(1H-imidazol-5-yl)piperidine-1-carbothioamide (PubChem CID 10685941) has the molecular formula C15H17FN4S and a molecular weight of 304.39 g/mol. Its IUPAC name is N-(3-fluorophenyl)-4-(1H-imidazol-5-yl)piperidine-1-carbothioamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-4-(1H-imidazol-5-yl)piperidine-1-carbothioamide
PubChem CID10685941
Molecular FormulaC15H17FN4S
Molecular Weight304.39 g/mol
Exact Mass304.12
IUPAC NameN-(3-fluorophenyl)-4-(1H-imidazol-5-yl)piperidine-1-carbothioamide
SMILESFc1cccc(NC(=S)N2CCC(c3cnc[nH]3)CC2)c1
InChIInChI=1S/C15H17FN4S/c16-12-2-1-3-13(8-12)19-15(21)20-6-4-11(5-7-20)14-9-17-10-18-14/h1-3,8-11H,4-7H2,(H,17,18)(H,19,21)
InChIKeyFHHKJLWFZDIBNU-UHFFFAOYSA-N
XLogP3.13
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N-(4-fluorophenyl)-4-hydroxypiperidine-1-carbothioamide
CID 942767
4-(3,4-dichlorophenyl)-N-(3-fluorophenyl)piperazine-1-carbothioamide
CID 19654639
4-(4-chlorophenyl)-N-(3-fluorophenyl)piperazine-1-carbothioamide
CID 17298778
N-(3-fluorophenyl)-1-(1H-imidazol-5-ylsulfonyl)piperidine-4-carboxamide
CID 20856425
1-(cyclopropanecarbonyl)-N-(3-fluorophenyl)piperidine-4-carboxamide
CID 26086523
2-tert-butyl-N-(3-fluorophenyl)-1,3-oxazolidine-3-carbothioamide
CID 21320185
2-[4-[(4-chlorophenyl)carbamothioyl]piperazin-1-ium-1-yl]-N-(3-fluorophenyl)acetamide
CID 9214271
4-(1H-benzimidazol-2-yl)-N-(3-fluorophenyl)piperidine-1-carboxamide
CID 23605637
4-(1H-imidazol-5-yl)-N-methyl-N-(4-methylsulfonylphenyl)piperidine-1-carboxamide
CID 100641520
4-(5-fluorobenzimidazol-1-yl)-N-phenylpiperidine-1-carbothioamide
CID 1462301
4-(2-aminophenyl)-N-(3-fluorophenyl)piperidine-1-carboxamide
CID 170456870
4-(4-fluorophenyl)-N-(3-methylphenyl)piperazine-1-carbothioamide
CID 2175797

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-4-(1H-imidazol-5-yl)piperidine-1-carbothioamide?
The IUPAC name of N-(3-fluorophenyl)-4-(1H-imidazol-5-yl)piperidine-1-carbothioamide (CID 10685941) is N-(3-fluorophenyl)-4-(1H-imidazol-5-yl)piperidine-1-carbothioamide.
What is the SMILES notation for N-(3-fluorophenyl)-4-(1H-imidazol-5-yl)piperidine-1-carbothioamide?
The canonical SMILES for N-(3-fluorophenyl)-4-(1H-imidazol-5-yl)piperidine-1-carbothioamide is Fc1cccc(NC(=S)N2CCC(c3cnc[nH]3)CC2)c1.
What is the InChIKey of N-(3-fluorophenyl)-4-(1H-imidazol-5-yl)piperidine-1-carbothioamide?
The InChIKey is FHHKJLWFZDIBNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4S/c16-12-2-1-3-13(8-12)19-15(21)20-6-4-11(5-7-20)14-9-17-10-18-14/h1-3,8-11H,4-7H2,(H,17,18)(H,19,21).
What are the key properties of N-(3-fluorophenyl)-4-(1H-imidazol-5-yl)piperidine-1-carbothioamide?
N-(3-fluorophenyl)-4-(1H-imidazol-5-yl)piperidine-1-carbothioamide has a molecular weight of 304.39 g/mol, XLogP of 3.13, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-4-(1H-imidazol-5-yl)piperidine-1-carbothioamide is sourced from PubChem (CID 10685941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).