(4-methylthiadiazol-5-yl)-(3-pyrazin-2-yloxypiperidin-1-yl)methanone

C13H15N5O2S — CID 91627868

IUPAC(4-methylthiadiazol-5-yl)-(3-pyrazin-2-yloxypiperidin-1-yl)methanone
SMILESCc1nnsc1C(=O)N1CCCC(Oc2cnccn2)C1
InChIInChI=1S/C13H15N5O2S/c1-9-12(21-17-16-9)13(19)18-6-2-3-10(8-18)20-11-7-14-4-5-15-11/h4-5,7,10H,2-3,6,8H2,1H3
InChIKeyCINXFHGYIQHBHH-UHFFFAOYSA-N
MW305.36 g/mol
LogP1.32
Rot. Bonds3

About (4-methylthiadiazol-5-yl)-(3-pyrazin-2-yloxypiperidin-1-yl)methanone

(4-methylthiadiazol-5-yl)-(3-pyrazin-2-yloxypiperidin-1-yl)methanone (PubChem CID 91627868) has the molecular formula C13H15N5O2S and a molecular weight of 305.36 g/mol. Its IUPAC name is (4-methylthiadiazol-5-yl)-(3-pyrazin-2-yloxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name(4-methylthiadiazol-5-yl)-(3-pyrazin-2-yloxypiperidin-1-yl)methanone
PubChem CID91627868
Molecular FormulaC13H15N5O2S
Molecular Weight305.36 g/mol
Exact Mass305.09
IUPAC Name(4-methylthiadiazol-5-yl)-(3-pyrazin-2-yloxypiperidin-1-yl)methanone
SMILESCc1nnsc1C(=O)N1CCCC(Oc2cnccn2)C1
InChIInChI=1S/C13H15N5O2S/c1-9-12(21-17-16-9)13(19)18-6-2-3-10(8-18)20-11-7-14-4-5-15-11/h4-5,7,10H,2-3,6,8H2,1H3
InChIKeyCINXFHGYIQHBHH-UHFFFAOYSA-N
XLogP1.32
TPSA81.10 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
CID 122243488
(2,4-dimethyl-1,3-thiazol-5-yl)-[(3S)-3-pyrazin-2-yloxypyrrolidin-1-yl]methanone
CID 100753272
tert-butyl 3-pyrazin-2-yloxypiperidine-1-carboxylate
CID 24902489
1H-indol-2-yl-[(3R)-3-pyrazin-2-yloxypiperidin-1-yl]methanone
CID 100644461
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3R)-3-pyrazin-2-yloxypiperidin-1-yl]propan-1-one
CID 100644730
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3S)-3-pyrazin-2-yloxypiperidin-1-yl]propan-1-one
CID 100644715
(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[(3S)-3-pyrazin-2-yloxypiperidin-1-yl]methanone
CID 100647018
(3-chloropiperidin-1-yl)-(4-methylthiadiazol-5-yl)methanone
CID 65198933
1-[(3S)-3-pyrazin-2-yloxypiperidine-1-carbonyl]imidazolidin-2-one
CID 100647916
(5S)-5-[(3R)-3-pyrazin-2-yloxypiperidine-1-carbonyl]pyrrolidin-2-one
CID 100644338
3-pyrazin-2-yloxypyrrolidine-1-carboxylic acid
CID 134496966
[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-pyrazin-2-ylmethanone
CID 122260865

Frequently Asked Questions

What is the IUPAC name of (4-methylthiadiazol-5-yl)-(3-pyrazin-2-yloxypiperidin-1-yl)methanone?
The IUPAC name of (4-methylthiadiazol-5-yl)-(3-pyrazin-2-yloxypiperidin-1-yl)methanone (CID 91627868) is (4-methylthiadiazol-5-yl)-(3-pyrazin-2-yloxypiperidin-1-yl)methanone.
What is the SMILES notation for (4-methylthiadiazol-5-yl)-(3-pyrazin-2-yloxypiperidin-1-yl)methanone?
The canonical SMILES for (4-methylthiadiazol-5-yl)-(3-pyrazin-2-yloxypiperidin-1-yl)methanone is Cc1nnsc1C(=O)N1CCCC(Oc2cnccn2)C1.
What is the InChIKey of (4-methylthiadiazol-5-yl)-(3-pyrazin-2-yloxypiperidin-1-yl)methanone?
The InChIKey is CINXFHGYIQHBHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O2S/c1-9-12(21-17-16-9)13(19)18-6-2-3-10(8-18)20-11-7-14-4-5-15-11/h4-5,7,10H,2-3,6,8H2,1H3.
What are the key properties of (4-methylthiadiazol-5-yl)-(3-pyrazin-2-yloxypiperidin-1-yl)methanone?
(4-methylthiadiazol-5-yl)-(3-pyrazin-2-yloxypiperidin-1-yl)methanone has a molecular weight of 305.36 g/mol, XLogP of 1.32, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylthiadiazol-5-yl)-(3-pyrazin-2-yloxypiperidin-1-yl)methanone is sourced from PubChem (CID 91627868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).