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

C9H13FN4OS — CID 46990975

IUPAC4-fluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
SMILESCc1nsc(NC(=O)N2CCC(F)CC2)n1
InChIInChI=1S/C9H13FN4OS/c1-6-11-8(16-13-6)12-9(15)14-4-2-7(10)3-5-14/h7H,2-5H2,1H3,(H,11,12,13,15)
InChIKeyVKZGWACZVQVOCS-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.81
Rot. Bonds1

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

4-fluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide (PubChem CID 46990975) has the molecular formula C9H13FN4OS and a molecular weight of 244.29 g/mol. Its IUPAC name is 4-fluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-fluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
PubChem CID46990975
Molecular FormulaC9H13FN4OS
Molecular Weight244.29 g/mol
Exact Mass244.08
IUPAC Name4-fluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
SMILESCc1nsc(NC(=O)N2CCC(F)CC2)n1
InChIInChI=1S/C9H13FN4OS/c1-6-11-8(16-13-6)12-9(15)14-4-2-7(10)3-5-14/h7H,2-5H2,1H3,(H,11,12,13,15)
InChIKeyVKZGWACZVQVOCS-UHFFFAOYSA-N
XLogP1.81
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide?
The IUPAC name of 4-fluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide (CID 46990975) is 4-fluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide.
What is the SMILES notation for 4-fluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide?
The canonical SMILES for 4-fluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide is Cc1nsc(NC(=O)N2CCC(F)CC2)n1.
What is the InChIKey of 4-fluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide?
The InChIKey is VKZGWACZVQVOCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN4OS/c1-6-11-8(16-13-6)12-9(15)14-4-2-7(10)3-5-14/h7H,2-5H2,1H3,(H,11,12,13,15).
What are the key properties of 4-fluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide?
4-fluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide has a molecular weight of 244.29 g/mol, XLogP of 1.81, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide is sourced from PubChem (CID 46990975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).