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

C18H20N4OS — CID 10405002

IUPAC2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-[1,3]thiazolo[5,4-b]pyridine
SMILESCOc1ccccc1N1CCN(Cc2nc3cccnc3s2)CC1
InChIInChI=1S/C18H20N4OS/c1-23-16-7-3-2-6-15(16)22-11-9-21(10-12-22)13-17-20-14-5-4-8-19-18(14)24-17/h2-8H,9-13H2,1H3
InChIKeyOQSQLHOADMVQPA-UHFFFAOYSA-N
MW340.45 g/mol
LogP3.02
Rot. Bonds4

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

2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-[1,3]thiazolo[5,4-b]pyridine (PubChem CID 10405002) has the molecular formula C18H20N4OS and a molecular weight of 340.45 g/mol. Its IUPAC name is 2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-[1,3]thiazolo[5,4-b]pyridine.

Molecular Properties

Compound Name2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-[1,3]thiazolo[5,4-b]pyridine
PubChem CID10405002
Molecular FormulaC18H20N4OS
Molecular Weight340.45 g/mol
Exact Mass340.14
IUPAC Name2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-[1,3]thiazolo[5,4-b]pyridine
SMILESCOc1ccccc1N1CCN(Cc2nc3cccnc3s2)CC1
InChIInChI=1S/C18H20N4OS/c1-23-16-7-3-2-6-15(16)22-11-9-21(10-12-22)13-17-20-14-5-4-8-19-18(14)24-17/h2-8H,9-13H2,1H3
InChIKeyOQSQLHOADMVQPA-UHFFFAOYSA-N
XLogP3.02
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-[1,3]thiazolo[5,4-b]pyridine?
The IUPAC name of 2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-[1,3]thiazolo[5,4-b]pyridine (CID 10405002) is 2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-[1,3]thiazolo[5,4-b]pyridine.
What is the SMILES notation for 2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-[1,3]thiazolo[5,4-b]pyridine?
The canonical SMILES for 2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-[1,3]thiazolo[5,4-b]pyridine is COc1ccccc1N1CCN(Cc2nc3cccnc3s2)CC1.
What is the InChIKey of 2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-[1,3]thiazolo[5,4-b]pyridine?
The InChIKey is OQSQLHOADMVQPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4OS/c1-23-16-7-3-2-6-15(16)22-11-9-21(10-12-22)13-17-20-14-5-4-8-19-18(14)24-17/h2-8H,9-13H2,1H3.
What are the key properties of 2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-[1,3]thiazolo[5,4-b]pyridine?
2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-[1,3]thiazolo[5,4-b]pyridine has a molecular weight of 340.45 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-[1,3]thiazolo[5,4-b]pyridine is sourced from PubChem (CID 10405002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).