1-[2-(7-methoxyquinoxalin-2-yl)sulfanylethyl]-N-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]piperidin-4-amine

C24H27N5O2S2 — CID 46852846

IUPAC1-[2-(7-methoxyquinoxalin-2-yl)sulfanylethyl]-N-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]piperidin-4-amine
SMILESCOc1ccc2ncc(SCCN3CCC(NCc4cc(-c5cccs5)on4)CC3)nc2c1
InChIInChI=1S/C24H27N5O2S2/c1-30-19-4-5-20-21(14-19)27-24(16-26-20)33-12-10-29-8-6-17(7-9-29)25-15-18-13-22(31-28-18)23-3-2-11-32-23/h2-5,11,13-14,16-17,25H,6-10,12,15H2,1H3
InChIKeyUPTKEPQAVCUGTO-UHFFFAOYSA-N
MW481.65 g/mol
LogP4.70
Rot. Bonds9

About 1-[2-(7-methoxyquinoxalin-2-yl)sulfanylethyl]-N-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]piperidin-4-amine

1-[2-(7-methoxyquinoxalin-2-yl)sulfanylethyl]-N-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]piperidin-4-amine (PubChem CID 46852846) has the molecular formula C24H27N5O2S2 and a molecular weight of 481.65 g/mol. Its IUPAC name is 1-[2-(7-methoxyquinoxalin-2-yl)sulfanylethyl]-N-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[2-(7-methoxyquinoxalin-2-yl)sulfanylethyl]-N-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]piperidin-4-amine
PubChem CID46852846
Molecular FormulaC24H27N5O2S2
Molecular Weight481.65 g/mol
Exact Mass481.16
IUPAC Name1-[2-(7-methoxyquinoxalin-2-yl)sulfanylethyl]-N-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]piperidin-4-amine
SMILESCOc1ccc2ncc(SCCN3CCC(NCc4cc(-c5cccs5)on4)CC3)nc2c1
InChIInChI=1S/C24H27N5O2S2/c1-30-19-4-5-20-21(14-19)27-24(16-26-20)33-12-10-29-8-6-17(7-9-29)25-15-18-13-22(31-28-18)23-3-2-11-32-23/h2-5,11,13-14,16-17,25H,6-10,12,15H2,1H3
InChIKeyUPTKEPQAVCUGTO-UHFFFAOYSA-N
XLogP4.70
TPSA76.31 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.65
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(7-methoxyquinoxalin-2-yl)sulfanylethyl]-N-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]piperidin-4-amine?
The IUPAC name of 1-[2-(7-methoxyquinoxalin-2-yl)sulfanylethyl]-N-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]piperidin-4-amine (CID 46852846) is 1-[2-(7-methoxyquinoxalin-2-yl)sulfanylethyl]-N-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]piperidin-4-amine.
What is the SMILES notation for 1-[2-(7-methoxyquinoxalin-2-yl)sulfanylethyl]-N-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]piperidin-4-amine?
The canonical SMILES for 1-[2-(7-methoxyquinoxalin-2-yl)sulfanylethyl]-N-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]piperidin-4-amine is COc1ccc2ncc(SCCN3CCC(NCc4cc(-c5cccs5)on4)CC3)nc2c1.
What is the InChIKey of 1-[2-(7-methoxyquinoxalin-2-yl)sulfanylethyl]-N-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]piperidin-4-amine?
The InChIKey is UPTKEPQAVCUGTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O2S2/c1-30-19-4-5-20-21(14-19)27-24(16-26-20)33-12-10-29-8-6-17(7-9-29)25-15-18-13-22(31-28-18)23-3-2-11-32-23/h2-5,11,13-14,16-17,25H,6-10,12,15H2,1H3.
What are the key properties of 1-[2-(7-methoxyquinoxalin-2-yl)sulfanylethyl]-N-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]piperidin-4-amine?
1-[2-(7-methoxyquinoxalin-2-yl)sulfanylethyl]-N-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]piperidin-4-amine has a molecular weight of 481.65 g/mol, XLogP of 4.70, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(7-methoxyquinoxalin-2-yl)sulfanylethyl]-N-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]piperidin-4-amine is sourced from PubChem (CID 46852846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).