1-(2-fluorobenzoyl)-N-[5-[(2R)-pentan-2-yl]-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide

C20H25FN4O2S — CID 41025280

IUPAC1-(2-fluorobenzoyl)-N-[5-[(2R)-pentan-2-yl]-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
SMILESCCC[C@@H](C)c1nnc(NC(=O)C2CCN(C(=O)c3ccccc3F)CC2)s1
InChIInChI=1S/C20H25FN4O2S/c1-3-6-13(2)18-23-24-20(28-18)22-17(26)14-9-11-25(12-10-14)19(27)15-7-4-5-8-16(15)21/h4-5,7-8,13-14H,3,6,9-12H2,1-2H3,(H,22,24,26)/t13-/m1/s1
InChIKeyOSBVKHFSYFFXBL-CYBMUJFWSA-N
MW404.51 g/mol
LogP4.07
Rot. Bonds6

About 1-(2-fluorobenzoyl)-N-[5-[(2R)-pentan-2-yl]-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide

1-(2-fluorobenzoyl)-N-[5-[(2R)-pentan-2-yl]-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide (PubChem CID 41025280) has the molecular formula C20H25FN4O2S and a molecular weight of 404.51 g/mol. Its IUPAC name is 1-(2-fluorobenzoyl)-N-[5-[(2R)-pentan-2-yl]-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-fluorobenzoyl)-N-[5-[(2R)-pentan-2-yl]-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
PubChem CID41025280
Molecular FormulaC20H25FN4O2S
Molecular Weight404.51 g/mol
Exact Mass404.17
IUPAC Name1-(2-fluorobenzoyl)-N-[5-[(2R)-pentan-2-yl]-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
SMILESCCC[C@@H](C)c1nnc(NC(=O)C2CCN(C(=O)c3ccccc3F)CC2)s1
InChIInChI=1S/C20H25FN4O2S/c1-3-6-13(2)18-23-24-20(28-18)22-17(26)14-9-11-25(12-10-14)19(27)15-7-4-5-8-16(15)21/h4-5,7-8,13-14H,3,6,9-12H2,1-2H3,(H,22,24,26)/t13-/m1/s1
InChIKeyOSBVKHFSYFFXBL-CYBMUJFWSA-N
XLogP4.07
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-N,1-N-diethyl-4-N-[5-[(2S)-pentan-2-yl]-1,3,4-thiadiazol-2-yl]piperidine-1,4-dicarboxamide
CID 94858097
1-(2-fluorobenzoyl)-N-[5-(2-methoxyethylsulfanyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
CID 17019090
1-benzoyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 17018978
1-(2-fluorobenzoyl)-N-(2-fluorophenyl)piperidine-4-carboxamide
CID 17019008
(3R)-5-oxo-N-[5-[(2S)-pentan-2-yl]-1,3,4-thiadiazol-2-yl]-1-phenylpyrrolidine-3-carboxamide
CID 7438133
N-(2,6-dimethylphenyl)-1-(2-fluorobenzoyl)piperidine-4-carboxamide
CID 17019038
(3S)-1-(2-methylphenyl)-5-oxo-N-[5-[(2R)-pentan-2-yl]-1,3,4-thiadiazol-2-yl]pyrrolidine-3-carboxamide
CID 7449847
(3R)-1-(2-fluorobenzoyl)-N-[(2R)-pentan-2-yl]piperidine-3-carboxamide
CID 94367783
1-benzoyl-N-(5-butan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 17018993
1-(2-fluorobenzoyl)-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide
CID 17019069
1-(2-fluorobenzoyl)-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 17019017
1-[2-(difluoromethoxy)benzoyl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 42958498

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorobenzoyl)-N-[5-[(2R)-pentan-2-yl]-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide?
The IUPAC name of 1-(2-fluorobenzoyl)-N-[5-[(2R)-pentan-2-yl]-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide (CID 41025280) is 1-(2-fluorobenzoyl)-N-[5-[(2R)-pentan-2-yl]-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-fluorobenzoyl)-N-[5-[(2R)-pentan-2-yl]-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-(2-fluorobenzoyl)-N-[5-[(2R)-pentan-2-yl]-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide is CCC[C@@H](C)c1nnc(NC(=O)C2CCN(C(=O)c3ccccc3F)CC2)s1.
What is the InChIKey of 1-(2-fluorobenzoyl)-N-[5-[(2R)-pentan-2-yl]-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide?
The InChIKey is OSBVKHFSYFFXBL-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H25FN4O2S/c1-3-6-13(2)18-23-24-20(28-18)22-17(26)14-9-11-25(12-10-14)19(27)15-7-4-5-8-16(15)21/h4-5,7-8,13-14H,3,6,9-12H2,1-2H3,(H,22,24,26)/t13-/m1/s1.
What are the key properties of 1-(2-fluorobenzoyl)-N-[5-[(2R)-pentan-2-yl]-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide?
1-(2-fluorobenzoyl)-N-[5-[(2R)-pentan-2-yl]-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide has a molecular weight of 404.51 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorobenzoyl)-N-[5-[(2R)-pentan-2-yl]-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 41025280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).