2-methyl-5-(4-methylpiperazin-1-yl)-[1,3]thiazolo[5,4-b]pyridine

C12H16N4S — CID 58305221

IUPAC2-methyl-5-(4-methylpiperazin-1-yl)-[1,3]thiazolo[5,4-b]pyridine
SMILESCc1nc2ccc(N3CCN(C)CC3)nc2s1
InChIInChI=1S/C12H16N4S/c1-9-13-10-3-4-11(14-12(10)17-9)16-7-5-15(2)6-8-16/h3-4H,5-8H2,1-2H3
InChIKeyWVCDLWGGEPOSQQ-UHFFFAOYSA-N
MW248.35 g/mol
LogP1.75
Rot. Bonds1

About 2-methyl-5-(4-methylpiperazin-1-yl)-[1,3]thiazolo[5,4-b]pyridine

2-methyl-5-(4-methylpiperazin-1-yl)-[1,3]thiazolo[5,4-b]pyridine (PubChem CID 58305221) has the molecular formula C12H16N4S and a molecular weight of 248.35 g/mol. Its IUPAC name is 2-methyl-5-(4-methylpiperazin-1-yl)-[1,3]thiazolo[5,4-b]pyridine.

Molecular Properties

Compound Name2-methyl-5-(4-methylpiperazin-1-yl)-[1,3]thiazolo[5,4-b]pyridine
PubChem CID58305221
Molecular FormulaC12H16N4S
Molecular Weight248.35 g/mol
Exact Mass248.11
IUPAC Name2-methyl-5-(4-methylpiperazin-1-yl)-[1,3]thiazolo[5,4-b]pyridine
SMILESCc1nc2ccc(N3CCN(C)CC3)nc2s1
InChIInChI=1S/C12H16N4S/c1-9-13-10-3-4-11(14-12(10)17-9)16-7-5-15(2)6-8-16/h3-4H,5-8H2,1-2H3
InChIKeyWVCDLWGGEPOSQQ-UHFFFAOYSA-N
XLogP1.75
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(4-methylpiperazin-1-yl)-[1,3]thiazolo[5,4-b]pyridine?
The IUPAC name of 2-methyl-5-(4-methylpiperazin-1-yl)-[1,3]thiazolo[5,4-b]pyridine (CID 58305221) is 2-methyl-5-(4-methylpiperazin-1-yl)-[1,3]thiazolo[5,4-b]pyridine.
What is the SMILES notation for 2-methyl-5-(4-methylpiperazin-1-yl)-[1,3]thiazolo[5,4-b]pyridine?
The canonical SMILES for 2-methyl-5-(4-methylpiperazin-1-yl)-[1,3]thiazolo[5,4-b]pyridine is Cc1nc2ccc(N3CCN(C)CC3)nc2s1.
What is the InChIKey of 2-methyl-5-(4-methylpiperazin-1-yl)-[1,3]thiazolo[5,4-b]pyridine?
The InChIKey is WVCDLWGGEPOSQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4S/c1-9-13-10-3-4-11(14-12(10)17-9)16-7-5-15(2)6-8-16/h3-4H,5-8H2,1-2H3.
What are the key properties of 2-methyl-5-(4-methylpiperazin-1-yl)-[1,3]thiazolo[5,4-b]pyridine?
2-methyl-5-(4-methylpiperazin-1-yl)-[1,3]thiazolo[5,4-b]pyridine has a molecular weight of 248.35 g/mol, XLogP of 1.75, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(4-methylpiperazin-1-yl)-[1,3]thiazolo[5,4-b]pyridine is sourced from PubChem (CID 58305221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).