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

C21H21FN4OS — CID 3975297

IUPAC1-(3-benzyl-1,2,4-thiadiazol-5-yl)-N-(2-fluorophenyl)piperidine-3-carboxamide
SMILESO=C(Nc1ccccc1F)C1CCCN(c2nc(Cc3ccccc3)ns2)C1
InChIInChI=1S/C21H21FN4OS/c22-17-10-4-5-11-18(17)23-20(27)16-9-6-12-26(14-16)21-24-19(25-28-21)13-15-7-2-1-3-8-15/h1-5,7-8,10-11,16H,6,9,12-14H2,(H,23,27)
InChIKeyRTXROLUQIXMBQE-UHFFFAOYSA-N
MW396.49 g/mol
LogP4.12
Rot. Bonds5

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

1-(3-benzyl-1,2,4-thiadiazol-5-yl)-N-(2-fluorophenyl)piperidine-3-carboxamide (PubChem CID 3975297) has the molecular formula C21H21FN4OS and a molecular weight of 396.49 g/mol. Its IUPAC name is 1-(3-benzyl-1,2,4-thiadiazol-5-yl)-N-(2-fluorophenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(3-benzyl-1,2,4-thiadiazol-5-yl)-N-(2-fluorophenyl)piperidine-3-carboxamide
PubChem CID3975297
Molecular FormulaC21H21FN4OS
Molecular Weight396.49 g/mol
Exact Mass396.14
IUPAC Name1-(3-benzyl-1,2,4-thiadiazol-5-yl)-N-(2-fluorophenyl)piperidine-3-carboxamide
SMILESO=C(Nc1ccccc1F)C1CCCN(c2nc(Cc3ccccc3)ns2)C1
InChIInChI=1S/C21H21FN4OS/c22-17-10-4-5-11-18(17)23-20(27)16-9-6-12-26(14-16)21-24-19(25-28-21)13-15-7-2-1-3-8-15/h1-5,7-8,10-11,16H,6,9,12-14H2,(H,23,27)
InChIKeyRTXROLUQIXMBQE-UHFFFAOYSA-N
XLogP4.12
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-1-(3-benzyl-1,2,4-thiadiazol-5-yl)-N-(2-fluorophenyl)pyrrolidine-2-carboxamide
CID 7215393
1-(3-benzyl-1,2,4-thiadiazol-5-yl)piperidine-3-carboxylic acid
CID 5236137
(3R)-N-(4-fluorophenyl)-1-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperidine-3-carboxamide
CID 7288052
(3S)-N-(4-fluorophenyl)-1-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperidine-3-carboxamide
CID 7288049
(3R)-1-(3-benzyl-1,2,4-thiadiazol-5-yl)-N-[(2S)-3-methylbutan-2-yl]piperidine-3-carboxamide
CID 7397492
1-(3-benzyl-1,2,4-thiadiazol-5-yl)-N-propylpiperidine-3-carboxamide
CID 4552243
(3R)-1-(3-benzyl-1,2,4-thiadiazol-5-yl)-N-pentylpiperidine-3-carboxamide
CID 7499362
N-(1-benzylpiperidin-4-yl)-1-(3-benzyl-1,2,4-thiadiazol-5-yl)piperidine-3-carboxamide
CID 3873283
N-cyclopropyl-1-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperidine-3-carboxamide
CID 3542472
1-[4-[1-(3-benzyl-1,2,4-thiadiazol-5-yl)piperidine-3-carbonyl]piperazin-1-yl]ethanone
CID 3899521
[1-(3-benzyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 3478297
(3S)-1-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-(2-methylpropyl)piperidine-3-carboxamide
CID 7283455

Frequently Asked Questions

What is the IUPAC name of 1-(3-benzyl-1,2,4-thiadiazol-5-yl)-N-(2-fluorophenyl)piperidine-3-carboxamide?
The IUPAC name of 1-(3-benzyl-1,2,4-thiadiazol-5-yl)-N-(2-fluorophenyl)piperidine-3-carboxamide (CID 3975297) is 1-(3-benzyl-1,2,4-thiadiazol-5-yl)-N-(2-fluorophenyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(3-benzyl-1,2,4-thiadiazol-5-yl)-N-(2-fluorophenyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(3-benzyl-1,2,4-thiadiazol-5-yl)-N-(2-fluorophenyl)piperidine-3-carboxamide is O=C(Nc1ccccc1F)C1CCCN(c2nc(Cc3ccccc3)ns2)C1.
What is the InChIKey of 1-(3-benzyl-1,2,4-thiadiazol-5-yl)-N-(2-fluorophenyl)piperidine-3-carboxamide?
The InChIKey is RTXROLUQIXMBQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4OS/c22-17-10-4-5-11-18(17)23-20(27)16-9-6-12-26(14-16)21-24-19(25-28-21)13-15-7-2-1-3-8-15/h1-5,7-8,10-11,16H,6,9,12-14H2,(H,23,27).
What are the key properties of 1-(3-benzyl-1,2,4-thiadiazol-5-yl)-N-(2-fluorophenyl)piperidine-3-carboxamide?
1-(3-benzyl-1,2,4-thiadiazol-5-yl)-N-(2-fluorophenyl)piperidine-3-carboxamide has a molecular weight of 396.49 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-benzyl-1,2,4-thiadiazol-5-yl)-N-(2-fluorophenyl)piperidine-3-carboxamide is sourced from PubChem (CID 3975297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).