piperidin-1-yl-[3-(1,3-thiazol-2-yl)quinoxalin-6-yl]methanone

C17H16N4OS — CID 135300402

IUPACpiperidin-1-yl-[3-(1,3-thiazol-2-yl)quinoxalin-6-yl]methanone
SMILESO=C(c1ccc2ncc(-c3nccs3)nc2c1)N1CCCCC1
InChIInChI=1S/C17H16N4OS/c22-17(21-7-2-1-3-8-21)12-4-5-13-14(10-12)20-15(11-19-13)16-18-6-9-23-16/h4-6,9-11H,1-3,7-8H2
InChIKeyKGYZEHVIBRFIHL-UHFFFAOYSA-N
MW324.41 g/mol
LogP3.38
Rot. Bonds2

About piperidin-1-yl-[3-(1,3-thiazol-2-yl)quinoxalin-6-yl]methanone

piperidin-1-yl-[3-(1,3-thiazol-2-yl)quinoxalin-6-yl]methanone (PubChem CID 135300402) has the molecular formula C17H16N4OS and a molecular weight of 324.41 g/mol. Its IUPAC name is piperidin-1-yl-[3-(1,3-thiazol-2-yl)quinoxalin-6-yl]methanone.

Molecular Properties

Compound Namepiperidin-1-yl-[3-(1,3-thiazol-2-yl)quinoxalin-6-yl]methanone
PubChem CID135300402
Molecular FormulaC17H16N4OS
Molecular Weight324.41 g/mol
Exact Mass324.10
IUPAC Namepiperidin-1-yl-[3-(1,3-thiazol-2-yl)quinoxalin-6-yl]methanone
SMILESO=C(c1ccc2ncc(-c3nccs3)nc2c1)N1CCCCC1
InChIInChI=1S/C17H16N4OS/c22-17(21-7-2-1-3-8-21)12-4-5-13-14(10-12)20-15(11-19-13)16-18-6-9-23-16/h4-6,9-11H,1-3,7-8H2
InChIKeyKGYZEHVIBRFIHL-UHFFFAOYSA-N
XLogP3.38
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of piperidin-1-yl-[3-(1,3-thiazol-2-yl)quinoxalin-6-yl]methanone?
The IUPAC name of piperidin-1-yl-[3-(1,3-thiazol-2-yl)quinoxalin-6-yl]methanone (CID 135300402) is piperidin-1-yl-[3-(1,3-thiazol-2-yl)quinoxalin-6-yl]methanone.
What is the SMILES notation for piperidin-1-yl-[3-(1,3-thiazol-2-yl)quinoxalin-6-yl]methanone?
The canonical SMILES for piperidin-1-yl-[3-(1,3-thiazol-2-yl)quinoxalin-6-yl]methanone is O=C(c1ccc2ncc(-c3nccs3)nc2c1)N1CCCCC1.
What is the InChIKey of piperidin-1-yl-[3-(1,3-thiazol-2-yl)quinoxalin-6-yl]methanone?
The InChIKey is KGYZEHVIBRFIHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4OS/c22-17(21-7-2-1-3-8-21)12-4-5-13-14(10-12)20-15(11-19-13)16-18-6-9-23-16/h4-6,9-11H,1-3,7-8H2.
What are the key properties of piperidin-1-yl-[3-(1,3-thiazol-2-yl)quinoxalin-6-yl]methanone?
piperidin-1-yl-[3-(1,3-thiazol-2-yl)quinoxalin-6-yl]methanone has a molecular weight of 324.41 g/mol, XLogP of 3.38, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-1-yl-[3-(1,3-thiazol-2-yl)quinoxalin-6-yl]methanone is sourced from PubChem (CID 135300402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).