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

C20H25FN4OS — CID 17152774

IUPACN-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-1-(2-fluorophenyl)piperidine-4-carboxamide
SMILESO=C(Nc1nnc(C2CCCCC2)s1)C1CCN(c2ccccc2F)CC1
InChIInChI=1S/C20H25FN4OS/c21-16-8-4-5-9-17(16)25-12-10-14(11-13-25)18(26)22-20-24-23-19(27-20)15-6-2-1-3-7-15/h4-5,8-9,14-15H,1-3,6-7,10-13H2,(H,22,24,26)
InChIKeyQXOJLGQIEWGBJB-UHFFFAOYSA-N
MW388.51 g/mol
LogP4.58
Rot. Bonds4

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

N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-1-(2-fluorophenyl)piperidine-4-carboxamide (PubChem CID 17152774) has the molecular formula C20H25FN4OS and a molecular weight of 388.51 g/mol. Its IUPAC name is N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-1-(2-fluorophenyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-1-(2-fluorophenyl)piperidine-4-carboxamide
PubChem CID17152774
Molecular FormulaC20H25FN4OS
Molecular Weight388.51 g/mol
Exact Mass388.17
IUPAC NameN-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-1-(2-fluorophenyl)piperidine-4-carboxamide
SMILESO=C(Nc1nnc(C2CCCCC2)s1)C1CCN(c2ccccc2F)CC1
InChIInChI=1S/C20H25FN4OS/c21-16-8-4-5-9-17(16)25-12-10-14(11-13-25)18(26)22-20-24-23-19(27-20)15-6-2-1-3-7-15/h4-5,8-9,14-15H,1-3,6-7,10-13H2,(H,22,24,26)
InChIKeyQXOJLGQIEWGBJB-UHFFFAOYSA-N
XLogP4.58
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 27297656
1-(4-chlorobenzoyl)-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 17119295
N-(5-butan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)-1-(2-fluorophenyl)piperidine-4-carboxamide
CID 17152848
N,1-bis(2-fluorophenyl)piperidine-4-carboxamide
CID 17152573
1-(2-fluorophenyl)-N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
CID 17152768
1-(2-fluorophenyl)-N-(4-fluorophenyl)piperidine-4-carboxamide
CID 17152616
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-phenyl-2-piperidin-1-ylacetamide
CID 46952064
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 18275497
N-(2-ethylphenyl)-1-(2-fluorophenyl)piperidine-4-carboxamide
CID 17152635
N-(4,6-dimethylpyrimidin-2-yl)-1-(2-fluorophenyl)piperidine-4-carboxamide
CID 17152729
N-[5-(5-oxo-1-phenylpyrrolidin-3-yl)-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide
CID 17203638
N-[5-[(1S,3S)-3-[5-(cyclopentanecarbonylamino)-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]cyclopentanecarboxamide
CID 90163335

Frequently Asked Questions

What is the IUPAC name of N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-1-(2-fluorophenyl)piperidine-4-carboxamide?
The IUPAC name of N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-1-(2-fluorophenyl)piperidine-4-carboxamide (CID 17152774) is N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-1-(2-fluorophenyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-1-(2-fluorophenyl)piperidine-4-carboxamide?
The canonical SMILES for N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-1-(2-fluorophenyl)piperidine-4-carboxamide is O=C(Nc1nnc(C2CCCCC2)s1)C1CCN(c2ccccc2F)CC1.
What is the InChIKey of N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-1-(2-fluorophenyl)piperidine-4-carboxamide?
The InChIKey is QXOJLGQIEWGBJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN4OS/c21-16-8-4-5-9-17(16)25-12-10-14(11-13-25)18(26)22-20-24-23-19(27-20)15-6-2-1-3-7-15/h4-5,8-9,14-15H,1-3,6-7,10-13H2,(H,22,24,26).
What are the key properties of N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-1-(2-fluorophenyl)piperidine-4-carboxamide?
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-1-(2-fluorophenyl)piperidine-4-carboxamide has a molecular weight of 388.51 g/mol, XLogP of 4.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-1-(2-fluorophenyl)piperidine-4-carboxamide is sourced from PubChem (CID 17152774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).