7-chloro-1-(4-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole

C16H11ClN2OS — CID 164885631

IUPAC7-chloro-1-(4-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole
SMILESCOc1ccc(-c2cnc3sc4ccc(Cl)cc4n23)cc1
InChIInChI=1S/C16H11ClN2OS/c1-20-12-5-2-10(3-6-12)14-9-18-16-19(14)13-8-11(17)4-7-15(13)21-16/h2-9H,1H3
InChIKeyHXXLOCNNYQEMCY-UHFFFAOYSA-N
MW314.80 g/mol
LogP4.88
Rot. Bonds2

About 7-chloro-1-(4-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole

7-chloro-1-(4-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole (PubChem CID 164885631) has the molecular formula C16H11ClN2OS and a molecular weight of 314.80 g/mol. Its IUPAC name is 7-chloro-1-(4-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole.

Molecular Properties

Compound Name7-chloro-1-(4-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole
PubChem CID164885631
Molecular FormulaC16H11ClN2OS
Molecular Weight314.80 g/mol
Exact Mass314.03
IUPAC Name7-chloro-1-(4-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole
SMILESCOc1ccc(-c2cnc3sc4ccc(Cl)cc4n23)cc1
InChIInChI=1S/C16H11ClN2OS/c1-20-12-5-2-10(3-6-12)14-9-18-16-19(14)13-8-11(17)4-7-15(13)21-16/h2-9H,1H3
InChIKeyHXXLOCNNYQEMCY-UHFFFAOYSA-N
XLogP4.88
TPSA26.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.80
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-(4-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole?
The IUPAC name of 7-chloro-1-(4-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole (CID 164885631) is 7-chloro-1-(4-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole.
What is the SMILES notation for 7-chloro-1-(4-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole?
The canonical SMILES for 7-chloro-1-(4-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole is COc1ccc(-c2cnc3sc4ccc(Cl)cc4n23)cc1.
What is the InChIKey of 7-chloro-1-(4-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole?
The InChIKey is HXXLOCNNYQEMCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN2OS/c1-20-12-5-2-10(3-6-12)14-9-18-16-19(14)13-8-11(17)4-7-15(13)21-16/h2-9H,1H3.
What are the key properties of 7-chloro-1-(4-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole?
7-chloro-1-(4-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole has a molecular weight of 314.80 g/mol, XLogP of 4.88, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-(4-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole is sourced from PubChem (CID 164885631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).