2-[3-(furan-2-yl)quinolin-4-yl]-1,3-thiazole

C16H10N2OS — CID 54225553

IUPAC2-[3-(furan-2-yl)quinolin-4-yl]-1,3-thiazole
SMILESc1coc(-c2cnc3ccccc3c2-c2nccs2)c1
InChIInChI=1S/C16H10N2OS/c1-2-5-13-11(4-1)15(16-17-7-9-20-16)12(10-18-13)14-6-3-8-19-14/h1-10H
InChIKeyOVUHGGPJCVDGPV-UHFFFAOYSA-N
MW278.34 g/mol
LogP4.62
Rot. Bonds2

About 2-[3-(furan-2-yl)quinolin-4-yl]-1,3-thiazole

2-[3-(furan-2-yl)quinolin-4-yl]-1,3-thiazole (PubChem CID 54225553) has the molecular formula C16H10N2OS and a molecular weight of 278.34 g/mol. Its IUPAC name is 2-[3-(furan-2-yl)quinolin-4-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[3-(furan-2-yl)quinolin-4-yl]-1,3-thiazole
PubChem CID54225553
Molecular FormulaC16H10N2OS
Molecular Weight278.34 g/mol
Exact Mass278.05
IUPAC Name2-[3-(furan-2-yl)quinolin-4-yl]-1,3-thiazole
SMILESc1coc(-c2cnc3ccccc3c2-c2nccs2)c1
InChIInChI=1S/C16H10N2OS/c1-2-5-13-11(4-1)15(16-17-7-9-20-16)12(10-18-13)14-6-3-8-19-14/h1-10H
InChIKeyOVUHGGPJCVDGPV-UHFFFAOYSA-N
XLogP4.62
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(furan-2-yl)quinolin-4-yl]-1,3-thiazole?
The IUPAC name of 2-[3-(furan-2-yl)quinolin-4-yl]-1,3-thiazole (CID 54225553) is 2-[3-(furan-2-yl)quinolin-4-yl]-1,3-thiazole.
What is the SMILES notation for 2-[3-(furan-2-yl)quinolin-4-yl]-1,3-thiazole?
The canonical SMILES for 2-[3-(furan-2-yl)quinolin-4-yl]-1,3-thiazole is c1coc(-c2cnc3ccccc3c2-c2nccs2)c1.
What is the InChIKey of 2-[3-(furan-2-yl)quinolin-4-yl]-1,3-thiazole?
The InChIKey is OVUHGGPJCVDGPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N2OS/c1-2-5-13-11(4-1)15(16-17-7-9-20-16)12(10-18-13)14-6-3-8-19-14/h1-10H.
What are the key properties of 2-[3-(furan-2-yl)quinolin-4-yl]-1,3-thiazole?
2-[3-(furan-2-yl)quinolin-4-yl]-1,3-thiazole has a molecular weight of 278.34 g/mol, XLogP of 4.62, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(furan-2-yl)quinolin-4-yl]-1,3-thiazole is sourced from PubChem (CID 54225553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).