6-(4-fluorophenyl)-3-(1-methylpiperazin-2-yl)-[1,2]thiazolo[4,3-b]pyridine

C17H17FN4S — CID 90467779

IUPAC6-(4-fluorophenyl)-3-(1-methylpiperazin-2-yl)-[1,2]thiazolo[4,3-b]pyridine
SMILESCN1CCNCC1c1snc2cc(-c3ccc(F)cc3)cnc12
InChIInChI=1S/C17H17FN4S/c1-22-7-6-19-10-15(22)17-16-14(21-23-17)8-12(9-20-16)11-2-4-13(18)5-3-11/h2-5,8-9,15,19H,6-7,10H2,1H3
InChIKeyMYEDMVBICQNLCX-UHFFFAOYSA-N
MW328.42 g/mol
LogP3.07
Rot. Bonds2

About 6-(4-fluorophenyl)-3-(1-methylpiperazin-2-yl)-[1,2]thiazolo[4,3-b]pyridine

6-(4-fluorophenyl)-3-(1-methylpiperazin-2-yl)-[1,2]thiazolo[4,3-b]pyridine (PubChem CID 90467779) has the molecular formula C17H17FN4S and a molecular weight of 328.42 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-3-(1-methylpiperazin-2-yl)-[1,2]thiazolo[4,3-b]pyridine.

Molecular Properties

Compound Name6-(4-fluorophenyl)-3-(1-methylpiperazin-2-yl)-[1,2]thiazolo[4,3-b]pyridine
PubChem CID90467779
Molecular FormulaC17H17FN4S
Molecular Weight328.42 g/mol
Exact Mass328.12
IUPAC Name6-(4-fluorophenyl)-3-(1-methylpiperazin-2-yl)-[1,2]thiazolo[4,3-b]pyridine
SMILESCN1CCNCC1c1snc2cc(-c3ccc(F)cc3)cnc12
InChIInChI=1S/C17H17FN4S/c1-22-7-6-19-10-15(22)17-16-14(21-23-17)8-12(9-20-16)11-2-4-13(18)5-3-11/h2-5,8-9,15,19H,6-7,10H2,1H3
InChIKeyMYEDMVBICQNLCX-UHFFFAOYSA-N
XLogP3.07
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-3-(1-methylpiperazin-2-yl)-[1,2]thiazolo[4,3-b]pyridine?
The IUPAC name of 6-(4-fluorophenyl)-3-(1-methylpiperazin-2-yl)-[1,2]thiazolo[4,3-b]pyridine (CID 90467779) is 6-(4-fluorophenyl)-3-(1-methylpiperazin-2-yl)-[1,2]thiazolo[4,3-b]pyridine.
What is the SMILES notation for 6-(4-fluorophenyl)-3-(1-methylpiperazin-2-yl)-[1,2]thiazolo[4,3-b]pyridine?
The canonical SMILES for 6-(4-fluorophenyl)-3-(1-methylpiperazin-2-yl)-[1,2]thiazolo[4,3-b]pyridine is CN1CCNCC1c1snc2cc(-c3ccc(F)cc3)cnc12.
What is the InChIKey of 6-(4-fluorophenyl)-3-(1-methylpiperazin-2-yl)-[1,2]thiazolo[4,3-b]pyridine?
The InChIKey is MYEDMVBICQNLCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4S/c1-22-7-6-19-10-15(22)17-16-14(21-23-17)8-12(9-20-16)11-2-4-13(18)5-3-11/h2-5,8-9,15,19H,6-7,10H2,1H3.
What are the key properties of 6-(4-fluorophenyl)-3-(1-methylpiperazin-2-yl)-[1,2]thiazolo[4,3-b]pyridine?
6-(4-fluorophenyl)-3-(1-methylpiperazin-2-yl)-[1,2]thiazolo[4,3-b]pyridine has a molecular weight of 328.42 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-3-(1-methylpiperazin-2-yl)-[1,2]thiazolo[4,3-b]pyridine is sourced from PubChem (CID 90467779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).