N-(2-fluorophenyl)-5-[1-[(2S)-2-phenylbutanoyl]piperidin-4-yl]-1,3,4-thiadiazole-2-carboxamide

C24H25FN4O2S — CID 92895164

IUPACN-(2-fluorophenyl)-5-[1-[(2S)-2-phenylbutanoyl]piperidin-4-yl]-1,3,4-thiadiazole-2-carboxamide
SMILESCC[C@H](C(=O)N1CCC(c2nnc(C(=O)Nc3ccccc3F)s2)CC1)c1ccccc1
InChIInChI=1S/C24H25FN4O2S/c1-2-18(16-8-4-3-5-9-16)24(31)29-14-12-17(13-15-29)22-27-28-23(32-22)21(30)26-20-11-7-6-10-19(20)25/h3-11,17-18H,2,12-15H2,1H3,(H,26,30)/t18-/m0/s1
InChIKeyWUUIMJOSVYVEGH-SFHVURJKSA-N
MW452.56 g/mol
LogP4.83
Rot. Bonds6

About N-(2-fluorophenyl)-5-[1-[(2S)-2-phenylbutanoyl]piperidin-4-yl]-1,3,4-thiadiazole-2-carboxamide

N-(2-fluorophenyl)-5-[1-[(2S)-2-phenylbutanoyl]piperidin-4-yl]-1,3,4-thiadiazole-2-carboxamide (PubChem CID 92895164) has the molecular formula C24H25FN4O2S and a molecular weight of 452.56 g/mol. Its IUPAC name is N-(2-fluorophenyl)-5-[1-[(2S)-2-phenylbutanoyl]piperidin-4-yl]-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-5-[1-[(2S)-2-phenylbutanoyl]piperidin-4-yl]-1,3,4-thiadiazole-2-carboxamide
PubChem CID92895164
Molecular FormulaC24H25FN4O2S
Molecular Weight452.56 g/mol
Exact Mass452.17
IUPAC NameN-(2-fluorophenyl)-5-[1-[(2S)-2-phenylbutanoyl]piperidin-4-yl]-1,3,4-thiadiazole-2-carboxamide
SMILESCC[C@H](C(=O)N1CCC(c2nnc(C(=O)Nc3ccccc3F)s2)CC1)c1ccccc1
InChIInChI=1S/C24H25FN4O2S/c1-2-18(16-8-4-3-5-9-16)24(31)29-14-12-17(13-15-29)22-27-28-23(32-22)21(30)26-20-11-7-6-10-19(20)25/h3-11,17-18H,2,12-15H2,1H3,(H,26,30)/t18-/m0/s1
InChIKeyWUUIMJOSVYVEGH-SFHVURJKSA-N
XLogP4.83
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.56
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-fluorophenyl)-5-[1-(propylcarbamoyl)piperidin-4-yl]-1,3,4-thiadiazole-2-carboxamide
CID 50818947
N-(2-fluorophenyl)-5-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]-1,3,4-thiadiazole-2-carboxamide
CID 46376617
5-[1-[(2,4-dimethoxyphenyl)carbamoyl]piperidin-4-yl]-N-(2-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 50818647
5-[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]-N-(2-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 50818776
5-[1-(5-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]-N-(2-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 50818890
5-[1-(cyclobutanecarbonyl)piperidin-4-yl]-N-(2-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 46376428
5-[1-(benzenesulfonyl)piperidin-4-yl]-N-(2,4-difluorophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 50818682
5-[1-(3-cyanophenyl)sulfonylpiperidin-4-yl]-N-(2-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 46376623
5-[1-(2-fluorobenzoyl)piperidin-4-yl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 46376400
N-(2-methylphenyl)-5-[1-[(E)-3-phenylprop-2-enoyl]piperidin-4-yl]-1,3,4-thiadiazole-2-carboxamide
CID 46376432
5-[1-(2-methoxyacetyl)piperidin-4-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
CID 50816338
(2R)-N-(2-fluorophenyl)-2-phenylbutanamide
CID 7313846

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-5-[1-[(2S)-2-phenylbutanoyl]piperidin-4-yl]-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of N-(2-fluorophenyl)-5-[1-[(2S)-2-phenylbutanoyl]piperidin-4-yl]-1,3,4-thiadiazole-2-carboxamide (CID 92895164) is N-(2-fluorophenyl)-5-[1-[(2S)-2-phenylbutanoyl]piperidin-4-yl]-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for N-(2-fluorophenyl)-5-[1-[(2S)-2-phenylbutanoyl]piperidin-4-yl]-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for N-(2-fluorophenyl)-5-[1-[(2S)-2-phenylbutanoyl]piperidin-4-yl]-1,3,4-thiadiazole-2-carboxamide is CC[C@H](C(=O)N1CCC(c2nnc(C(=O)Nc3ccccc3F)s2)CC1)c1ccccc1.
What is the InChIKey of N-(2-fluorophenyl)-5-[1-[(2S)-2-phenylbutanoyl]piperidin-4-yl]-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is WUUIMJOSVYVEGH-SFHVURJKSA-N. The full InChI is InChI=1S/C24H25FN4O2S/c1-2-18(16-8-4-3-5-9-16)24(31)29-14-12-17(13-15-29)22-27-28-23(32-22)21(30)26-20-11-7-6-10-19(20)25/h3-11,17-18H,2,12-15H2,1H3,(H,26,30)/t18-/m0/s1.
What are the key properties of N-(2-fluorophenyl)-5-[1-[(2S)-2-phenylbutanoyl]piperidin-4-yl]-1,3,4-thiadiazole-2-carboxamide?
N-(2-fluorophenyl)-5-[1-[(2S)-2-phenylbutanoyl]piperidin-4-yl]-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 452.56 g/mol, XLogP of 4.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-5-[1-[(2S)-2-phenylbutanoyl]piperidin-4-yl]-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 92895164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).