5-methyl-2-[4-(1-quinoxalin-6-ylethyl)piperazin-1-yl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine

C21H26N6S — CID 130377032

IUPAC5-methyl-2-[4-(1-quinoxalin-6-ylethyl)piperazin-1-yl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine
SMILESCC(c1ccc2nccnc2c1)N1CCN(c2nc3c(s2)CN(C)CC3)CC1
InChIInChI=1S/C21H26N6S/c1-15(16-3-4-17-19(13-16)23-7-6-22-17)26-9-11-27(12-10-26)21-24-18-5-8-25(2)14-20(18)28-21/h3-4,6-7,13,15H,5,8-12,14H2,1-2H3
InChIKeyLENWGKKFEYPFFG-UHFFFAOYSA-N
MW394.55 g/mol
LogP2.96
Rot. Bonds3

About 5-methyl-2-[4-(1-quinoxalin-6-ylethyl)piperazin-1-yl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine

5-methyl-2-[4-(1-quinoxalin-6-ylethyl)piperazin-1-yl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine (PubChem CID 130377032) has the molecular formula C21H26N6S and a molecular weight of 394.55 g/mol. Its IUPAC name is 5-methyl-2-[4-(1-quinoxalin-6-ylethyl)piperazin-1-yl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine.

Molecular Properties

Compound Name5-methyl-2-[4-(1-quinoxalin-6-ylethyl)piperazin-1-yl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine
PubChem CID130377032
Molecular FormulaC21H26N6S
Molecular Weight394.55 g/mol
Exact Mass394.19
IUPAC Name5-methyl-2-[4-(1-quinoxalin-6-ylethyl)piperazin-1-yl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine
SMILESCC(c1ccc2nccnc2c1)N1CCN(c2nc3c(s2)CN(C)CC3)CC1
InChIInChI=1S/C21H26N6S/c1-15(16-3-4-17-19(13-16)23-7-6-22-17)26-9-11-27(12-10-26)21-24-18-5-8-25(2)14-20(18)28-21/h3-4,6-7,13,15H,5,8-12,14H2,1-2H3
InChIKeyLENWGKKFEYPFFG-UHFFFAOYSA-N
XLogP2.96
TPSA48.39 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.55
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[4-(1-quinoxalin-6-ylethyl)piperazin-1-yl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine?
The IUPAC name of 5-methyl-2-[4-(1-quinoxalin-6-ylethyl)piperazin-1-yl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine (CID 130377032) is 5-methyl-2-[4-(1-quinoxalin-6-ylethyl)piperazin-1-yl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine.
What is the SMILES notation for 5-methyl-2-[4-(1-quinoxalin-6-ylethyl)piperazin-1-yl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine?
The canonical SMILES for 5-methyl-2-[4-(1-quinoxalin-6-ylethyl)piperazin-1-yl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine is CC(c1ccc2nccnc2c1)N1CCN(c2nc3c(s2)CN(C)CC3)CC1.
What is the InChIKey of 5-methyl-2-[4-(1-quinoxalin-6-ylethyl)piperazin-1-yl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine?
The InChIKey is LENWGKKFEYPFFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6S/c1-15(16-3-4-17-19(13-16)23-7-6-22-17)26-9-11-27(12-10-26)21-24-18-5-8-25(2)14-20(18)28-21/h3-4,6-7,13,15H,5,8-12,14H2,1-2H3.
What are the key properties of 5-methyl-2-[4-(1-quinoxalin-6-ylethyl)piperazin-1-yl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine?
5-methyl-2-[4-(1-quinoxalin-6-ylethyl)piperazin-1-yl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine has a molecular weight of 394.55 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[4-(1-quinoxalin-6-ylethyl)piperazin-1-yl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine is sourced from PubChem (CID 130377032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).