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

C20H24N6S — CID 130376973

IUPAC2-[4-(1-quinoxalin-6-ylethyl)piperazin-1-yl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
SMILESCC(c1ccc2nccnc2c1)N1CCN(c2nc3c(s2)CNCC3)CC1
InChIInChI=1S/C20H24N6S/c1-14(15-2-3-16-18(12-15)23-7-6-22-16)25-8-10-26(11-9-25)20-24-17-4-5-21-13-19(17)27-20/h2-3,6-7,12,14,21H,4-5,8-11,13H2,1H3
InChIKeyDDRUQNVDIFJLSB-UHFFFAOYSA-N
MW380.52 g/mol
LogP2.62
Rot. Bonds3

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

2-[4-(1-quinoxalin-6-ylethyl)piperazin-1-yl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine (PubChem CID 130376973) has the molecular formula C20H24N6S and a molecular weight of 380.52 g/mol. Its IUPAC name is 2-[4-(1-quinoxalin-6-ylethyl)piperazin-1-yl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine.

Molecular Properties

Compound Name2-[4-(1-quinoxalin-6-ylethyl)piperazin-1-yl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
PubChem CID130376973
Molecular FormulaC20H24N6S
Molecular Weight380.52 g/mol
Exact Mass380.18
IUPAC Name2-[4-(1-quinoxalin-6-ylethyl)piperazin-1-yl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
SMILESCC(c1ccc2nccnc2c1)N1CCN(c2nc3c(s2)CNCC3)CC1
InChIInChI=1S/C20H24N6S/c1-14(15-2-3-16-18(12-15)23-7-6-22-16)25-8-10-26(11-9-25)20-24-17-4-5-21-13-19(17)27-20/h2-3,6-7,12,14,21H,4-5,8-11,13H2,1H3
InChIKeyDDRUQNVDIFJLSB-UHFFFAOYSA-N
XLogP2.62
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.52
LogP ≤ 52.62
H-Bond Donors ≤ 51
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]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine?
The IUPAC name of 2-[4-(1-quinoxalin-6-ylethyl)piperazin-1-yl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine (CID 130376973) is 2-[4-(1-quinoxalin-6-ylethyl)piperazin-1-yl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine.
What is the SMILES notation for 2-[4-(1-quinoxalin-6-ylethyl)piperazin-1-yl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine?
The canonical SMILES for 2-[4-(1-quinoxalin-6-ylethyl)piperazin-1-yl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine is CC(c1ccc2nccnc2c1)N1CCN(c2nc3c(s2)CNCC3)CC1.
What is the InChIKey of 2-[4-(1-quinoxalin-6-ylethyl)piperazin-1-yl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine?
The InChIKey is DDRUQNVDIFJLSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6S/c1-14(15-2-3-16-18(12-15)23-7-6-22-16)25-8-10-26(11-9-25)20-24-17-4-5-21-13-19(17)27-20/h2-3,6-7,12,14,21H,4-5,8-11,13H2,1H3.
What are the key properties of 2-[4-(1-quinoxalin-6-ylethyl)piperazin-1-yl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine?
2-[4-(1-quinoxalin-6-ylethyl)piperazin-1-yl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine has a molecular weight of 380.52 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 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]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine is sourced from PubChem (CID 130376973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).