2-[4-(furan-2-yl)phenyl]imidazo[2,1-b][1,3]benzothiazole

C19H12N2OS — CID 11668411

IUPAC2-[4-(furan-2-yl)phenyl]imidazo[2,1-b][1,3]benzothiazole
SMILESc1coc(-c2ccc(-c3cn4c(n3)sc3ccccc34)cc2)c1
InChIInChI=1S/C19H12N2OS/c1-2-6-18-16(4-1)21-12-15(20-19(21)23-18)13-7-9-14(10-8-13)17-5-3-11-22-17/h1-12H
InChIKeyZNEQCBOUSBKZMB-UHFFFAOYSA-N
MW316.39 g/mol
LogP5.48
Rot. Bonds2

About 2-[4-(furan-2-yl)phenyl]imidazo[2,1-b][1,3]benzothiazole

2-[4-(furan-2-yl)phenyl]imidazo[2,1-b][1,3]benzothiazole (PubChem CID 11668411) has the molecular formula C19H12N2OS and a molecular weight of 316.39 g/mol. Its IUPAC name is 2-[4-(furan-2-yl)phenyl]imidazo[2,1-b][1,3]benzothiazole.

Molecular Properties

Compound Name2-[4-(furan-2-yl)phenyl]imidazo[2,1-b][1,3]benzothiazole
PubChem CID11668411
Molecular FormulaC19H12N2OS
Molecular Weight316.39 g/mol
Exact Mass316.07
IUPAC Name2-[4-(furan-2-yl)phenyl]imidazo[2,1-b][1,3]benzothiazole
SMILESc1coc(-c2ccc(-c3cn4c(n3)sc3ccccc34)cc2)c1
InChIInChI=1S/C19H12N2OS/c1-2-6-18-16(4-1)21-12-15(20-19(21)23-18)13-7-9-14(10-8-13)17-5-3-11-22-17/h1-12H
InChIKeyZNEQCBOUSBKZMB-UHFFFAOYSA-N
XLogP5.48
TPSA30.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.39
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(furan-2-yl)phenyl]imidazo[2,1-b][1,3]benzothiazole?
The IUPAC name of 2-[4-(furan-2-yl)phenyl]imidazo[2,1-b][1,3]benzothiazole (CID 11668411) is 2-[4-(furan-2-yl)phenyl]imidazo[2,1-b][1,3]benzothiazole.
What is the SMILES notation for 2-[4-(furan-2-yl)phenyl]imidazo[2,1-b][1,3]benzothiazole?
The canonical SMILES for 2-[4-(furan-2-yl)phenyl]imidazo[2,1-b][1,3]benzothiazole is c1coc(-c2ccc(-c3cn4c(n3)sc3ccccc34)cc2)c1.
What is the InChIKey of 2-[4-(furan-2-yl)phenyl]imidazo[2,1-b][1,3]benzothiazole?
The InChIKey is ZNEQCBOUSBKZMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12N2OS/c1-2-6-18-16(4-1)21-12-15(20-19(21)23-18)13-7-9-14(10-8-13)17-5-3-11-22-17/h1-12H.
What are the key properties of 2-[4-(furan-2-yl)phenyl]imidazo[2,1-b][1,3]benzothiazole?
2-[4-(furan-2-yl)phenyl]imidazo[2,1-b][1,3]benzothiazole has a molecular weight of 316.39 g/mol, XLogP of 5.48, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(furan-2-yl)phenyl]imidazo[2,1-b][1,3]benzothiazole is sourced from PubChem (CID 11668411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).