2-(5-amino-1,3,4-thiadiazol-2-yl)-1-[4-(3-phenoxypyrazin-2-yl)piperidin-1-yl]ethanone

C19H20N6O2S — CID 95823231

IUPAC2-(5-amino-1,3,4-thiadiazol-2-yl)-1-[4-(3-phenoxypyrazin-2-yl)piperidin-1-yl]ethanone
SMILESNc1nnc(CC(=O)N2CCC(c3nccnc3Oc3ccccc3)CC2)s1
InChIInChI=1S/C19H20N6O2S/c20-19-24-23-15(28-19)12-16(26)25-10-6-13(7-11-25)17-18(22-9-8-21-17)27-14-4-2-1-3-5-14/h1-5,8-9,13H,6-7,10-12H2,(H2,20,24)
InChIKeyPUKQMFHWJYXLDD-UHFFFAOYSA-N
MW396.48 g/mol
LogP2.65
Rot. Bonds5

About 2-(5-amino-1,3,4-thiadiazol-2-yl)-1-[4-(3-phenoxypyrazin-2-yl)piperidin-1-yl]ethanone

2-(5-amino-1,3,4-thiadiazol-2-yl)-1-[4-(3-phenoxypyrazin-2-yl)piperidin-1-yl]ethanone (PubChem CID 95823231) has the molecular formula C19H20N6O2S and a molecular weight of 396.48 g/mol. Its IUPAC name is 2-(5-amino-1,3,4-thiadiazol-2-yl)-1-[4-(3-phenoxypyrazin-2-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(5-amino-1,3,4-thiadiazol-2-yl)-1-[4-(3-phenoxypyrazin-2-yl)piperidin-1-yl]ethanone
PubChem CID95823231
Molecular FormulaC19H20N6O2S
Molecular Weight396.48 g/mol
Exact Mass396.14
IUPAC Name2-(5-amino-1,3,4-thiadiazol-2-yl)-1-[4-(3-phenoxypyrazin-2-yl)piperidin-1-yl]ethanone
SMILESNc1nnc(CC(=O)N2CCC(c3nccnc3Oc3ccccc3)CC2)s1
InChIInChI=1S/C19H20N6O2S/c20-19-24-23-15(28-19)12-16(26)25-10-6-13(7-11-25)17-18(22-9-8-21-17)27-14-4-2-1-3-5-14/h1-5,8-9,13H,6-7,10-12H2,(H2,20,24)
InChIKeyPUKQMFHWJYXLDD-UHFFFAOYSA-N
XLogP2.65
TPSA107.12 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.48
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

[4-(3-phenoxypyrazin-2-yl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 95822311
4-[3-[1-(3-methoxypropanoyl)piperidin-4-yl]pyrazin-2-yl]oxybenzamide
CID 95822596
2-methoxy-1-[4-[3-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95822508
1-[4-[3-(4-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95821913
1-[4-[3-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-2-methoxyethanone
CID 95822487
2-[4-(3-pyridin-3-yloxypyrazin-2-yl)piperidin-1-yl]acetamide
CID 95822061
2-amino-2-methyl-1-[4-[3-(4-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]propan-1-one
CID 95823275
1-[4-[3-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-2-(methylamino)ethanone
CID 95823494
4-[3-[4-(pyridin-2-ylamino)phenoxy]pyrazin-2-yl]piperidine-1-carboxylic acid
CID 67425066
2-(5-amino-1,3,4-thiadiazol-2-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;2,2,2-trifluoroacetic acid
CID 154891896
2-amino-1-[4-[3-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-2-methylpropan-1-one
CID 95823255
1-[(3R)-3-(3-phenoxypyrazin-2-yl)piperidin-1-yl]-2-pyrazol-1-ylethanone
CID 95823286

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-1,3,4-thiadiazol-2-yl)-1-[4-(3-phenoxypyrazin-2-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(5-amino-1,3,4-thiadiazol-2-yl)-1-[4-(3-phenoxypyrazin-2-yl)piperidin-1-yl]ethanone (CID 95823231) is 2-(5-amino-1,3,4-thiadiazol-2-yl)-1-[4-(3-phenoxypyrazin-2-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(5-amino-1,3,4-thiadiazol-2-yl)-1-[4-(3-phenoxypyrazin-2-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(5-amino-1,3,4-thiadiazol-2-yl)-1-[4-(3-phenoxypyrazin-2-yl)piperidin-1-yl]ethanone is Nc1nnc(CC(=O)N2CCC(c3nccnc3Oc3ccccc3)CC2)s1.
What is the InChIKey of 2-(5-amino-1,3,4-thiadiazol-2-yl)-1-[4-(3-phenoxypyrazin-2-yl)piperidin-1-yl]ethanone?
The InChIKey is PUKQMFHWJYXLDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O2S/c20-19-24-23-15(28-19)12-16(26)25-10-6-13(7-11-25)17-18(22-9-8-21-17)27-14-4-2-1-3-5-14/h1-5,8-9,13H,6-7,10-12H2,(H2,20,24).
What are the key properties of 2-(5-amino-1,3,4-thiadiazol-2-yl)-1-[4-(3-phenoxypyrazin-2-yl)piperidin-1-yl]ethanone?
2-(5-amino-1,3,4-thiadiazol-2-yl)-1-[4-(3-phenoxypyrazin-2-yl)piperidin-1-yl]ethanone has a molecular weight of 396.48 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-1,3,4-thiadiazol-2-yl)-1-[4-(3-phenoxypyrazin-2-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 95823231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).