2-(4-fluorophenyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide

C15H17FN4OS — CID 46990057

IUPAC2-(4-fluorophenyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
SMILESCc1nsc(NC(=O)N2CCCCC2c2ccc(F)cc2)n1
InChIInChI=1S/C15H17FN4OS/c1-10-17-14(22-19-10)18-15(21)20-9-3-2-4-13(20)11-5-7-12(16)8-6-11/h5-8,13H,2-4,9H2,1H3,(H,17,18,19,21)
InChIKeyFRCOCENMGUAHGK-UHFFFAOYSA-N
MW320.39 g/mol
LogP3.74
Rot. Bonds2

About 2-(4-fluorophenyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide

2-(4-fluorophenyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide (PubChem CID 46990057) has the molecular formula C15H17FN4OS and a molecular weight of 320.39 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
PubChem CID46990057
Molecular FormulaC15H17FN4OS
Molecular Weight320.39 g/mol
Exact Mass320.11
IUPAC Name2-(4-fluorophenyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
SMILESCc1nsc(NC(=O)N2CCCCC2c2ccc(F)cc2)n1
InChIInChI=1S/C15H17FN4OS/c1-10-17-14(22-19-10)18-15(21)20-9-3-2-4-13(20)11-5-7-12(16)8-6-11/h5-8,13H,2-4,9H2,1H3,(H,17,18,19,21)
InChIKeyFRCOCENMGUAHGK-UHFFFAOYSA-N
XLogP3.74
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide?
The IUPAC name of 2-(4-fluorophenyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide (CID 46990057) is 2-(4-fluorophenyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide is Cc1nsc(NC(=O)N2CCCCC2c2ccc(F)cc2)n1.
What is the InChIKey of 2-(4-fluorophenyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide?
The InChIKey is FRCOCENMGUAHGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4OS/c1-10-17-14(22-19-10)18-15(21)20-9-3-2-4-13(20)11-5-7-12(16)8-6-11/h5-8,13H,2-4,9H2,1H3,(H,17,18,19,21).
What are the key properties of 2-(4-fluorophenyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide?
2-(4-fluorophenyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide has a molecular weight of 320.39 g/mol, XLogP of 3.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide is sourced from PubChem (CID 46990057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).