2-(4-piperazin-1-ylphenyl)-7-(1,3-thiazol-5-yl)furo[3,2-b]pyridine

C20H18N4OS — CID 56848636

IUPAC2-(4-piperazin-1-ylphenyl)-7-(1,3-thiazol-5-yl)furo[3,2-b]pyridine
SMILESc1cc(-c2cncs2)c2oc(-c3ccc(N4CCNCC4)cc3)cc2n1
InChIInChI=1S/C20H18N4OS/c1-3-15(24-9-7-21-8-10-24)4-2-14(1)18-11-17-20(25-18)16(5-6-23-17)19-12-22-13-26-19/h1-6,11-13,21H,7-10H2
InChIKeyRAOCFYVRFSONJD-UHFFFAOYSA-N
MW362.46 g/mol
LogP4.03
Rot. Bonds3

About 2-(4-piperazin-1-ylphenyl)-7-(1,3-thiazol-5-yl)furo[3,2-b]pyridine

2-(4-piperazin-1-ylphenyl)-7-(1,3-thiazol-5-yl)furo[3,2-b]pyridine (PubChem CID 56848636) has the molecular formula C20H18N4OS and a molecular weight of 362.46 g/mol. Its IUPAC name is 2-(4-piperazin-1-ylphenyl)-7-(1,3-thiazol-5-yl)furo[3,2-b]pyridine.

Molecular Properties

Compound Name2-(4-piperazin-1-ylphenyl)-7-(1,3-thiazol-5-yl)furo[3,2-b]pyridine
PubChem CID56848636
Molecular FormulaC20H18N4OS
Molecular Weight362.46 g/mol
Exact Mass362.12
IUPAC Name2-(4-piperazin-1-ylphenyl)-7-(1,3-thiazol-5-yl)furo[3,2-b]pyridine
SMILESc1cc(-c2cncs2)c2oc(-c3ccc(N4CCNCC4)cc3)cc2n1
InChIInChI=1S/C20H18N4OS/c1-3-15(24-9-7-21-8-10-24)4-2-14(1)18-11-17-20(25-18)16(5-6-23-17)19-12-22-13-26-19/h1-6,11-13,21H,7-10H2
InChIKeyRAOCFYVRFSONJD-UHFFFAOYSA-N
XLogP4.03
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-piperazin-1-ylphenyl)-7-(1,3-thiazol-5-yl)furo[3,2-b]pyridine?
The IUPAC name of 2-(4-piperazin-1-ylphenyl)-7-(1,3-thiazol-5-yl)furo[3,2-b]pyridine (CID 56848636) is 2-(4-piperazin-1-ylphenyl)-7-(1,3-thiazol-5-yl)furo[3,2-b]pyridine.
What is the SMILES notation for 2-(4-piperazin-1-ylphenyl)-7-(1,3-thiazol-5-yl)furo[3,2-b]pyridine?
The canonical SMILES for 2-(4-piperazin-1-ylphenyl)-7-(1,3-thiazol-5-yl)furo[3,2-b]pyridine is c1cc(-c2cncs2)c2oc(-c3ccc(N4CCNCC4)cc3)cc2n1.
What is the InChIKey of 2-(4-piperazin-1-ylphenyl)-7-(1,3-thiazol-5-yl)furo[3,2-b]pyridine?
The InChIKey is RAOCFYVRFSONJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4OS/c1-3-15(24-9-7-21-8-10-24)4-2-14(1)18-11-17-20(25-18)16(5-6-23-17)19-12-22-13-26-19/h1-6,11-13,21H,7-10H2.
What are the key properties of 2-(4-piperazin-1-ylphenyl)-7-(1,3-thiazol-5-yl)furo[3,2-b]pyridine?
2-(4-piperazin-1-ylphenyl)-7-(1,3-thiazol-5-yl)furo[3,2-b]pyridine has a molecular weight of 362.46 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-piperazin-1-ylphenyl)-7-(1,3-thiazol-5-yl)furo[3,2-b]pyridine is sourced from PubChem (CID 56848636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).