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

C20H20N6S — CID 118911305

IUPAC2-[4-(1-quinoxalin-6-ylethyl)piperazin-1-yl]-[1,3]thiazolo[4,5-c]pyridine
SMILESCC(c1ccc2nccnc2c1)N1CCN(c2nc3cnccc3s2)CC1
InChIInChI=1S/C20H20N6S/c1-14(15-2-3-16-17(12-15)23-7-6-22-16)25-8-10-26(11-9-25)20-24-18-13-21-5-4-19(18)27-20/h2-7,12-14H,8-11H2,1H3
InChIKeySLPMHVBAUQGJNS-UHFFFAOYSA-N
MW376.49 g/mol
LogP3.52
Rot. Bonds3

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

2-[4-(1-quinoxalin-6-ylethyl)piperazin-1-yl]-[1,3]thiazolo[4,5-c]pyridine (PubChem CID 118911305) has the molecular formula C20H20N6S and a molecular weight of 376.49 g/mol. Its IUPAC name is 2-[4-(1-quinoxalin-6-ylethyl)piperazin-1-yl]-[1,3]thiazolo[4,5-c]pyridine.

Molecular Properties

Compound Name2-[4-(1-quinoxalin-6-ylethyl)piperazin-1-yl]-[1,3]thiazolo[4,5-c]pyridine
PubChem CID118911305
Molecular FormulaC20H20N6S
Molecular Weight376.49 g/mol
Exact Mass376.15
IUPAC Name2-[4-(1-quinoxalin-6-ylethyl)piperazin-1-yl]-[1,3]thiazolo[4,5-c]pyridine
SMILESCC(c1ccc2nccnc2c1)N1CCN(c2nc3cnccc3s2)CC1
InChIInChI=1S/C20H20N6S/c1-14(15-2-3-16-17(12-15)23-7-6-22-16)25-8-10-26(11-9-25)20-24-18-13-21-5-4-19(18)27-20/h2-7,12-14H,8-11H2,1H3
InChIKeySLPMHVBAUQGJNS-UHFFFAOYSA-N
XLogP3.52
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.49
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-quinoxalin-6-ylethyl)piperazin-1-yl]-[1,3]thiazolo[4,5-c]pyridine?
The IUPAC name of 2-[4-(1-quinoxalin-6-ylethyl)piperazin-1-yl]-[1,3]thiazolo[4,5-c]pyridine (CID 118911305) is 2-[4-(1-quinoxalin-6-ylethyl)piperazin-1-yl]-[1,3]thiazolo[4,5-c]pyridine.
What is the SMILES notation for 2-[4-(1-quinoxalin-6-ylethyl)piperazin-1-yl]-[1,3]thiazolo[4,5-c]pyridine?
The canonical SMILES for 2-[4-(1-quinoxalin-6-ylethyl)piperazin-1-yl]-[1,3]thiazolo[4,5-c]pyridine is CC(c1ccc2nccnc2c1)N1CCN(c2nc3cnccc3s2)CC1.
What is the InChIKey of 2-[4-(1-quinoxalin-6-ylethyl)piperazin-1-yl]-[1,3]thiazolo[4,5-c]pyridine?
The InChIKey is SLPMHVBAUQGJNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6S/c1-14(15-2-3-16-17(12-15)23-7-6-22-16)25-8-10-26(11-9-25)20-24-18-13-21-5-4-19(18)27-20/h2-7,12-14H,8-11H2,1H3.
What are the key properties of 2-[4-(1-quinoxalin-6-ylethyl)piperazin-1-yl]-[1,3]thiazolo[4,5-c]pyridine?
2-[4-(1-quinoxalin-6-ylethyl)piperazin-1-yl]-[1,3]thiazolo[4,5-c]pyridine has a molecular weight of 376.49 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-quinoxalin-6-ylethyl)piperazin-1-yl]-[1,3]thiazolo[4,5-c]pyridine is sourced from PubChem (CID 118911305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).