N-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]pyridine-4-carbothioamide

C17H18FN3OS — CID 25186692

IUPACN-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]pyridine-4-carbothioamide
SMILESOC1CCN(c2ccc(F)cc2NC(=S)c2ccncc2)CC1
InChIInChI=1S/C17H18FN3OS/c18-13-1-2-16(21-9-5-14(22)6-10-21)15(11-13)20-17(23)12-3-7-19-8-4-12/h1-4,7-8,11,14,22H,5-6,9-10H2,(H,20,23)
InChIKeyPZLKEUOAYPNCEP-UHFFFAOYSA-N
MW331.42 g/mol
LogP2.97
Rot. Bonds3

About N-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]pyridine-4-carbothioamide

N-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]pyridine-4-carbothioamide (PubChem CID 25186692) has the molecular formula C17H18FN3OS and a molecular weight of 331.42 g/mol. Its IUPAC name is N-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]pyridine-4-carbothioamide.

Molecular Properties

Compound NameN-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]pyridine-4-carbothioamide
PubChem CID25186692
Molecular FormulaC17H18FN3OS
Molecular Weight331.42 g/mol
Exact Mass331.12
IUPAC NameN-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]pyridine-4-carbothioamide
SMILESOC1CCN(c2ccc(F)cc2NC(=S)c2ccncc2)CC1
InChIInChI=1S/C17H18FN3OS/c18-13-1-2-16(21-9-5-14(22)6-10-21)15(11-13)20-17(23)12-3-7-19-8-4-12/h1-4,7-8,11,14,22H,5-6,9-10H2,(H,20,23)
InChIKeyPZLKEUOAYPNCEP-UHFFFAOYSA-N
XLogP2.97
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2,4-difluorophenyl)piperidin-4-ol
CID 10584688
1-(2,5-difluorophenyl)piperidin-4-ol
CID 141069702
N-(5-fluoro-2-pyrrolidin-1-ylphenyl)cyclobutanecarboxamide
CID 113092391
N-(4-azido-5-fluoro-2-piperidin-1-ylphenyl)pyridine-4-carbothioamide
CID 25186970
(3S)-N-(5-fluoro-2-pyrazol-1-ylphenyl)-3-hydroxypyrrolidine-1-carboxamide
CID 111474707
2-cyano-N-[5-fluoro-2-(4-methylpiperidin-1-yl)phenyl]acetamide
CID 168523364
5-fluoro-N-[2-(4-hydroxypiperidin-1-yl)phenyl]-2-iodobenzamide
CID 86877934
4-fluoro-N-(5-fluoro-2-pyrrolidin-1-ylphenyl)benzamide
CID 113092338
N-(2-amino-5-fluorophenyl)-4-(4-hydroxypiperidin-1-yl)benzamide
CID 167931145
N-[3-cyano-4-(4-hydroxypiperidin-1-yl)phenyl]-2-fluoropyridine-4-carboxamide
CID 111485579
1-[4-[[(2,4-difluorophenyl)methylamino]methyl]-2-fluorophenyl]piperidin-4-ol
CID 47625369
N-(5-fluoro-2-morpholin-4-ylphenyl)oxane-4-carboxamide
CID 113092739

Frequently Asked Questions

What is the IUPAC name of N-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]pyridine-4-carbothioamide?
The IUPAC name of N-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]pyridine-4-carbothioamide (CID 25186692) is N-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]pyridine-4-carbothioamide.
What is the SMILES notation for N-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]pyridine-4-carbothioamide?
The canonical SMILES for N-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]pyridine-4-carbothioamide is OC1CCN(c2ccc(F)cc2NC(=S)c2ccncc2)CC1.
What is the InChIKey of N-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]pyridine-4-carbothioamide?
The InChIKey is PZLKEUOAYPNCEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3OS/c18-13-1-2-16(21-9-5-14(22)6-10-21)15(11-13)20-17(23)12-3-7-19-8-4-12/h1-4,7-8,11,14,22H,5-6,9-10H2,(H,20,23).
What are the key properties of N-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]pyridine-4-carbothioamide?
N-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]pyridine-4-carbothioamide has a molecular weight of 331.42 g/mol, XLogP of 2.97, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]pyridine-4-carbothioamide is sourced from PubChem (CID 25186692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).