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

C16H11ClN2OS — CID 15580444

IUPAC[2-(4-chlorophenyl)imidazo[2,1-b][1,3]benzothiazol-1-yl]methanol
SMILESOCc1c(-c2ccc(Cl)cc2)nc2sc3ccccc3n12
InChIInChI=1S/C16H11ClN2OS/c17-11-7-5-10(6-8-11)15-13(9-20)19-12-3-1-2-4-14(12)21-16(19)18-15/h1-8,20H,9H2
InChIKeyCAXVUJZDXYPBDG-UHFFFAOYSA-N
MW314.80 g/mol
LogP4.36
Rot. Bonds2

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

[2-(4-chlorophenyl)imidazo[2,1-b][1,3]benzothiazol-1-yl]methanol (PubChem CID 15580444) has the molecular formula C16H11ClN2OS and a molecular weight of 314.80 g/mol. Its IUPAC name is [2-(4-chlorophenyl)imidazo[2,1-b][1,3]benzothiazol-1-yl]methanol.

Molecular Properties

Compound Name[2-(4-chlorophenyl)imidazo[2,1-b][1,3]benzothiazol-1-yl]methanol
PubChem CID15580444
Molecular FormulaC16H11ClN2OS
Molecular Weight314.80 g/mol
Exact Mass314.03
IUPAC Name[2-(4-chlorophenyl)imidazo[2,1-b][1,3]benzothiazol-1-yl]methanol
SMILESOCc1c(-c2ccc(Cl)cc2)nc2sc3ccccc3n12
InChIInChI=1S/C16H11ClN2OS/c17-11-7-5-10(6-8-11)15-13(9-20)19-12-3-1-2-4-14(12)21-16(19)18-15/h1-8,20H,9H2
InChIKeyCAXVUJZDXYPBDG-UHFFFAOYSA-N
XLogP4.36
TPSA37.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.80
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(4-chlorophenyl)imidazo[2,1-b][1,3]benzothiazol-1-yl]methanol?
The IUPAC name of [2-(4-chlorophenyl)imidazo[2,1-b][1,3]benzothiazol-1-yl]methanol (CID 15580444) is [2-(4-chlorophenyl)imidazo[2,1-b][1,3]benzothiazol-1-yl]methanol.
What is the SMILES notation for [2-(4-chlorophenyl)imidazo[2,1-b][1,3]benzothiazol-1-yl]methanol?
The canonical SMILES for [2-(4-chlorophenyl)imidazo[2,1-b][1,3]benzothiazol-1-yl]methanol is OCc1c(-c2ccc(Cl)cc2)nc2sc3ccccc3n12.
What is the InChIKey of [2-(4-chlorophenyl)imidazo[2,1-b][1,3]benzothiazol-1-yl]methanol?
The InChIKey is CAXVUJZDXYPBDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN2OS/c17-11-7-5-10(6-8-11)15-13(9-20)19-12-3-1-2-4-14(12)21-16(19)18-15/h1-8,20H,9H2.
What are the key properties of [2-(4-chlorophenyl)imidazo[2,1-b][1,3]benzothiazol-1-yl]methanol?
[2-(4-chlorophenyl)imidazo[2,1-b][1,3]benzothiazol-1-yl]methanol has a molecular weight of 314.80 g/mol, XLogP of 4.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chlorophenyl)imidazo[2,1-b][1,3]benzothiazol-1-yl]methanol is sourced from PubChem (CID 15580444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).