[3-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone

C18H16FN5OS — CID 90491137

IUPAC[3-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone
SMILESO=C(c1cnccn1)N1CCCC(c2nnc(-c3ccccc3F)s2)C1
InChIInChI=1S/C18H16FN5OS/c19-14-6-2-1-5-13(14)17-23-22-16(26-17)12-4-3-9-24(11-12)18(25)15-10-20-7-8-21-15/h1-2,5-8,10,12H,3-4,9,11H2
InChIKeyIOTWIBLREFAIRP-UHFFFAOYSA-N
MW369.43 g/mol
LogP3.15
Rot. Bonds3

About [3-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone

[3-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone (PubChem CID 90491137) has the molecular formula C18H16FN5OS and a molecular weight of 369.43 g/mol. Its IUPAC name is [3-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone.

Molecular Properties

Compound Name[3-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone
PubChem CID90491137
Molecular FormulaC18H16FN5OS
Molecular Weight369.43 g/mol
Exact Mass369.11
IUPAC Name[3-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone
SMILESO=C(c1cnccn1)N1CCCC(c2nnc(-c3ccccc3F)s2)C1
InChIInChI=1S/C18H16FN5OS/c19-14-6-2-1-5-13(14)17-23-22-16(26-17)12-4-3-9-24(11-12)18(25)15-10-20-7-8-21-15/h1-2,5-8,10,12H,3-4,9,11H2
InChIKeyIOTWIBLREFAIRP-UHFFFAOYSA-N
XLogP3.15
TPSA71.87 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopentyl-3-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]piperidine-1-carboxamide
CID 90540320
6-[3-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]piperidine-1-carbonyl]-2-methylpyridazin-3-one
CID 71780374
(4-bromophenyl)-[3-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]methanone
CID 90491079
[3-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]-(4-phenylphenyl)methanone
CID 121069798
1-[3-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]-2-pyrimidin-2-ylsulfanylethanone
CID 90540311
N-(2-fluorophenyl)-3-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]piperidine-1-carboxamide
CID 90491194
[3-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]-(2-phenyl-1,3-oxazol-5-yl)methanone
CID 90540310
(3-bromophenyl)-[3-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]methanone
CID 90491078
1-[3-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]-2-propylpentan-1-one
CID 90540298
1-benzofuran-2-yl-[3-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]methanone
CID 90491115
[(3S)-3-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-pyrazin-2-ylmethanone
CID 125018357
3-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]-N-(2-methoxyethyl)piperidine-1-carboxamide
CID 90491210

Frequently Asked Questions

What is the IUPAC name of [3-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone?
The IUPAC name of [3-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone (CID 90491137) is [3-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone.
What is the SMILES notation for [3-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone?
The canonical SMILES for [3-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone is O=C(c1cnccn1)N1CCCC(c2nnc(-c3ccccc3F)s2)C1.
What is the InChIKey of [3-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone?
The InChIKey is IOTWIBLREFAIRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN5OS/c19-14-6-2-1-5-13(14)17-23-22-16(26-17)12-4-3-9-24(11-12)18(25)15-10-20-7-8-21-15/h1-2,5-8,10,12H,3-4,9,11H2.
What are the key properties of [3-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone?
[3-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone has a molecular weight of 369.43 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone is sourced from PubChem (CID 90491137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).