(4-imidazo[2,1-b][1,3]benzothiazol-2-ylphenyl)methanol

C16H12N2OS — CID 53322663

IUPAC(4-imidazo[2,1-b][1,3]benzothiazol-2-ylphenyl)methanol
SMILESOCc1ccc(-c2cn3c(n2)sc2ccccc23)cc1
InChIInChI=1S/C16H12N2OS/c19-10-11-5-7-12(8-6-11)13-9-18-14-3-1-2-4-15(14)20-16(18)17-13/h1-9,19H,10H2
InChIKeyBYLUSHHYKKRQPO-UHFFFAOYSA-N
MW280.35 g/mol
LogP3.71
Rot. Bonds2

About (4-imidazo[2,1-b][1,3]benzothiazol-2-ylphenyl)methanol

(4-imidazo[2,1-b][1,3]benzothiazol-2-ylphenyl)methanol (PubChem CID 53322663) has the molecular formula C16H12N2OS and a molecular weight of 280.35 g/mol. Its IUPAC name is (4-imidazo[2,1-b][1,3]benzothiazol-2-ylphenyl)methanol.

Molecular Properties

Compound Name(4-imidazo[2,1-b][1,3]benzothiazol-2-ylphenyl)methanol
PubChem CID53322663
Molecular FormulaC16H12N2OS
Molecular Weight280.35 g/mol
Exact Mass280.07
IUPAC Name(4-imidazo[2,1-b][1,3]benzothiazol-2-ylphenyl)methanol
SMILESOCc1ccc(-c2cn3c(n2)sc2ccccc23)cc1
InChIInChI=1S/C16H12N2OS/c19-10-11-5-7-12(8-6-11)13-9-18-14-3-1-2-4-15(14)20-16(18)17-13/h1-9,19H,10H2
InChIKeyBYLUSHHYKKRQPO-UHFFFAOYSA-N
XLogP3.71
TPSA37.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-imidazo[2,1-b][1,3]benzothiazol-2-ylphenyl)methanol?
The IUPAC name of (4-imidazo[2,1-b][1,3]benzothiazol-2-ylphenyl)methanol (CID 53322663) is (4-imidazo[2,1-b][1,3]benzothiazol-2-ylphenyl)methanol.
What is the SMILES notation for (4-imidazo[2,1-b][1,3]benzothiazol-2-ylphenyl)methanol?
The canonical SMILES for (4-imidazo[2,1-b][1,3]benzothiazol-2-ylphenyl)methanol is OCc1ccc(-c2cn3c(n2)sc2ccccc23)cc1.
What is the InChIKey of (4-imidazo[2,1-b][1,3]benzothiazol-2-ylphenyl)methanol?
The InChIKey is BYLUSHHYKKRQPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2OS/c19-10-11-5-7-12(8-6-11)13-9-18-14-3-1-2-4-15(14)20-16(18)17-13/h1-9,19H,10H2.
What are the key properties of (4-imidazo[2,1-b][1,3]benzothiazol-2-ylphenyl)methanol?
(4-imidazo[2,1-b][1,3]benzothiazol-2-ylphenyl)methanol has a molecular weight of 280.35 g/mol, XLogP of 3.71, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-imidazo[2,1-b][1,3]benzothiazol-2-ylphenyl)methanol is sourced from PubChem (CID 53322663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).