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

C9H12F2N4OS — CID 46998569

IUPAC4,4-difluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
SMILESCc1nsc(NC(=O)N2CCC(F)(F)CC2)n1
InChIInChI=1S/C9H12F2N4OS/c1-6-12-7(17-14-6)13-8(16)15-4-2-9(10,11)3-5-15/h2-5H2,1H3,(H,12,13,14,16)
InChIKeyHTIPLQPEDKNYMX-UHFFFAOYSA-N
MW262.28 g/mol
LogP2.11
Rot. Bonds1

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

4,4-difluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide (PubChem CID 46998569) has the molecular formula C9H12F2N4OS and a molecular weight of 262.28 g/mol. Its IUPAC name is 4,4-difluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4,4-difluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
PubChem CID46998569
Molecular FormulaC9H12F2N4OS
Molecular Weight262.28 g/mol
Exact Mass262.07
IUPAC Name4,4-difluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
SMILESCc1nsc(NC(=O)N2CCC(F)(F)CC2)n1
InChIInChI=1S/C9H12F2N4OS/c1-6-12-7(17-14-6)13-8(16)15-4-2-9(10,11)3-5-15/h2-5H2,1H3,(H,12,13,14,16)
InChIKeyHTIPLQPEDKNYMX-UHFFFAOYSA-N
XLogP2.11
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-methylpiperidin-3-yl)-N'-(3-methyl-1,2,4-thiadiazol-5-yl)urea
CID 46990307
1-(1-Methylpiperidin-4-yl)-3-(3-methyl-1,2,4-thiadiazol-5-yl)urea
CID 47000263
4-amino-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
CID 50968784
2-methyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-1-carboxamide
CID 50977048
4-(aminomethyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
CID 46984917
3-(aminomethyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
CID 46986528
4-fluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
CID 46990975
1-Piperidin-1-yl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanone
CID 107305102
1-Piperidin-1-yl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-1-one
CID 107305117
2,2,2-Trifluoro-1-[4-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]piperidin-1-yl]ethanone
CID 133429695
2,2,2-Trifluoro-1-[4-[[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]methyl]piperidin-1-yl]ethanone
CID 133429704
1-[4-[[(3-Ethyl-1,2,4-thiadiazol-5-yl)amino]methyl]piperidin-1-yl]-2,2,2-trifluoroethanone
CID 133429708

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide?
The IUPAC name of 4,4-difluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide (CID 46998569) is 4,4-difluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide.
What is the SMILES notation for 4,4-difluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide?
The canonical SMILES for 4,4-difluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide is Cc1nsc(NC(=O)N2CCC(F)(F)CC2)n1.
What is the InChIKey of 4,4-difluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide?
The InChIKey is HTIPLQPEDKNYMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F2N4OS/c1-6-12-7(17-14-6)13-8(16)15-4-2-9(10,11)3-5-15/h2-5H2,1H3,(H,12,13,14,16).
What are the key properties of 4,4-difluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide?
4,4-difluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide has a molecular weight of 262.28 g/mol, XLogP of 2.11, 1 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-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide is sourced from PubChem (CID 46998569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).