(4-methylthiadiazol-5-yl)-(4-quinoxalin-2-yloxypiperidin-1-yl)methanone

C17H17N5O2S — CID 90559987

IUPAC(4-methylthiadiazol-5-yl)-(4-quinoxalin-2-yloxypiperidin-1-yl)methanone
SMILESCc1nnsc1C(=O)N1CCC(Oc2cnc3ccccc3n2)CC1
InChIInChI=1S/C17H17N5O2S/c1-11-16(25-21-20-11)17(23)22-8-6-12(7-9-22)24-15-10-18-13-4-2-3-5-14(13)19-15/h2-5,10,12H,6-9H2,1H3
InChIKeyRYKASPBLSZINTH-UHFFFAOYSA-N
MW355.42 g/mol
LogP2.47
Rot. Bonds3

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

(4-methylthiadiazol-5-yl)-(4-quinoxalin-2-yloxypiperidin-1-yl)methanone (PubChem CID 90559987) has the molecular formula C17H17N5O2S and a molecular weight of 355.42 g/mol. Its IUPAC name is (4-methylthiadiazol-5-yl)-(4-quinoxalin-2-yloxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name(4-methylthiadiazol-5-yl)-(4-quinoxalin-2-yloxypiperidin-1-yl)methanone
PubChem CID90559987
Molecular FormulaC17H17N5O2S
Molecular Weight355.42 g/mol
Exact Mass355.11
IUPAC Name(4-methylthiadiazol-5-yl)-(4-quinoxalin-2-yloxypiperidin-1-yl)methanone
SMILESCc1nnsc1C(=O)N1CCC(Oc2cnc3ccccc3n2)CC1
InChIInChI=1S/C17H17N5O2S/c1-11-16(25-21-20-11)17(23)22-8-6-12(7-9-22)24-15-10-18-13-4-2-3-5-14(13)19-15/h2-5,10,12H,6-9H2,1H3
InChIKeyRYKASPBLSZINTH-UHFFFAOYSA-N
XLogP2.47
TPSA81.10 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(3,5-dimethoxyphenyl)-(4-quinoxalin-2-yloxypiperidin-1-yl)methanone
CID 90559871
(2,6-difluorophenyl)-(4-quinoxalin-2-yloxypiperidin-1-yl)methanone
CID 90559886
quinolin-2-yl-(4-quinoxalin-2-yloxypiperidin-1-yl)methanone
CID 90559814
ethyl 2-oxo-2-(4-quinoxalin-2-yloxypiperidin-1-yl)acetate
CID 90559847
pyridin-4-yl-(3-quinoxalin-2-yloxypyrrolidin-1-yl)methanone
CID 126850635
1-adamantyl-(4-quinoxalin-2-yloxypiperidin-1-yl)methanone
CID 90559841
(2,4-difluorophenyl)-(4-quinoxalin-2-yloxypiperidin-1-yl)methanone
CID 90559977
(2-bromophenyl)-(3-quinoxalin-2-yloxypyrrolidin-1-yl)methanone
CID 126852268
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-quinoxalin-2-yloxypiperidin-1-yl)ethanone
CID 90560033
furan-3-yl-(3-quinoxalin-2-yloxypyrrolidin-1-yl)methanone
CID 126854597
1-benzothiophen-2-yl-(3-quinoxalin-2-yloxypyrrolidin-1-yl)methanone
CID 126850645
N-tert-butyl-3-quinoxalin-2-yloxypyrrolidine-1-carboxamide
CID 126850655

Frequently Asked Questions

What is the IUPAC name of (4-methylthiadiazol-5-yl)-(4-quinoxalin-2-yloxypiperidin-1-yl)methanone?
The IUPAC name of (4-methylthiadiazol-5-yl)-(4-quinoxalin-2-yloxypiperidin-1-yl)methanone (CID 90559987) is (4-methylthiadiazol-5-yl)-(4-quinoxalin-2-yloxypiperidin-1-yl)methanone.
What is the SMILES notation for (4-methylthiadiazol-5-yl)-(4-quinoxalin-2-yloxypiperidin-1-yl)methanone?
The canonical SMILES for (4-methylthiadiazol-5-yl)-(4-quinoxalin-2-yloxypiperidin-1-yl)methanone is Cc1nnsc1C(=O)N1CCC(Oc2cnc3ccccc3n2)CC1.
What is the InChIKey of (4-methylthiadiazol-5-yl)-(4-quinoxalin-2-yloxypiperidin-1-yl)methanone?
The InChIKey is RYKASPBLSZINTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2S/c1-11-16(25-21-20-11)17(23)22-8-6-12(7-9-22)24-15-10-18-13-4-2-3-5-14(13)19-15/h2-5,10,12H,6-9H2,1H3.
What are the key properties of (4-methylthiadiazol-5-yl)-(4-quinoxalin-2-yloxypiperidin-1-yl)methanone?
(4-methylthiadiazol-5-yl)-(4-quinoxalin-2-yloxypiperidin-1-yl)methanone has a molecular weight of 355.42 g/mol, XLogP of 2.47, 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)-(4-quinoxalin-2-yloxypiperidin-1-yl)methanone is sourced from PubChem (CID 90559987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).