4,4-difluoro-N-(3-phenyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide

C14H14F2N4OS — CID 46999948

IUPAC4,4-difluoro-N-(3-phenyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
SMILESO=C(Nc1nc(-c2ccccc2)ns1)N1CCC(F)(F)CC1
InChIInChI=1S/C14H14F2N4OS/c15-14(16)6-8-20(9-7-14)13(21)18-12-17-11(19-22-12)10-4-2-1-3-5-10/h1-5H,6-9H2,(H,17,18,19,21)
InChIKeyKOMPCVVTJBFKLR-UHFFFAOYSA-N
MW324.36 g/mol
LogP3.47
Rot. Bonds2

About 4,4-difluoro-N-(3-phenyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide

4,4-difluoro-N-(3-phenyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide (PubChem CID 46999948) has the molecular formula C14H14F2N4OS and a molecular weight of 324.36 g/mol. Its IUPAC name is 4,4-difluoro-N-(3-phenyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4,4-difluoro-N-(3-phenyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
PubChem CID46999948
Molecular FormulaC14H14F2N4OS
Molecular Weight324.36 g/mol
Exact Mass324.09
IUPAC Name4,4-difluoro-N-(3-phenyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
SMILESO=C(Nc1nc(-c2ccccc2)ns1)N1CCC(F)(F)CC1
InChIInChI=1S/C14H14F2N4OS/c15-14(16)6-8-20(9-7-14)13(21)18-12-17-11(19-22-12)10-4-2-1-3-5-10/h1-5H,6-9H2,(H,17,18,19,21)
InChIKeyKOMPCVVTJBFKLR-UHFFFAOYSA-N
XLogP3.47
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-Phenyl-(1,2,4)thiadiazol-5-yl)-piperazine
CID 2777760
4-(3-Phenyl-1,2,4-thiadiazol-5-yl)-N-1H-tetrazol-5-ylpiperazine-1-carboxamide
CID 44562226
1-acetyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)-4-piperidinecarboxamide
CID 2960085
N1-(tert-butyl)-4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide
CID 2809272
4-(3-Phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carbaldehyde
CID 78225484
1-(1-Methylpiperidin-4-yl)-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea
CID 48749990
4-fluoro-N-(3-phenyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
CID 46982806
4-(cyclopropylcarbonyl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide
CID 46983544
4-(1-hydroxypropyl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
CID 46984473
N,N-dimethyl-N'-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1,4-dicarboxamide
CID 46984995
4-(1-hydroxyethyl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
CID 46986858
4-(1-hydroxy-1-methylethyl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
CID 46990783

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-N-(3-phenyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide?
The IUPAC name of 4,4-difluoro-N-(3-phenyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide (CID 46999948) is 4,4-difluoro-N-(3-phenyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide.
What is the SMILES notation for 4,4-difluoro-N-(3-phenyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide?
The canonical SMILES for 4,4-difluoro-N-(3-phenyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide is O=C(Nc1nc(-c2ccccc2)ns1)N1CCC(F)(F)CC1.
What is the InChIKey of 4,4-difluoro-N-(3-phenyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide?
The InChIKey is KOMPCVVTJBFKLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N4OS/c15-14(16)6-8-20(9-7-14)13(21)18-12-17-11(19-22-12)10-4-2-1-3-5-10/h1-5H,6-9H2,(H,17,18,19,21).
What are the key properties of 4,4-difluoro-N-(3-phenyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide?
4,4-difluoro-N-(3-phenyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide has a molecular weight of 324.36 g/mol, XLogP of 3.47, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-N-(3-phenyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide is sourced from PubChem (CID 46999948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).