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

C22H15ClN2OS — CID 176904355

IUPAC7-chloro-1-(4-methoxyphenyl)-2-phenylimidazo[2,1-b][1,3]benzothiazole
SMILESCOc1ccc(-c2c(-c3ccccc3)nc3sc4ccc(Cl)cc4n23)cc1
InChIInChI=1S/C22H15ClN2OS/c1-26-17-10-7-15(8-11-17)21-20(14-5-3-2-4-6-14)24-22-25(21)18-13-16(23)9-12-19(18)27-22/h2-13H,1H3
InChIKeyFRNKYCRHHJYWTA-UHFFFAOYSA-N
MW390.90 g/mol
LogP6.55
Rot. Bonds3

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

7-chloro-1-(4-methoxyphenyl)-2-phenylimidazo[2,1-b][1,3]benzothiazole (PubChem CID 176904355) has the molecular formula C22H15ClN2OS and a molecular weight of 390.90 g/mol. Its IUPAC name is 7-chloro-1-(4-methoxyphenyl)-2-phenylimidazo[2,1-b][1,3]benzothiazole.

Molecular Properties

Compound Name7-chloro-1-(4-methoxyphenyl)-2-phenylimidazo[2,1-b][1,3]benzothiazole
PubChem CID176904355
Molecular FormulaC22H15ClN2OS
Molecular Weight390.90 g/mol
Exact Mass390.06
IUPAC Name7-chloro-1-(4-methoxyphenyl)-2-phenylimidazo[2,1-b][1,3]benzothiazole
SMILESCOc1ccc(-c2c(-c3ccccc3)nc3sc4ccc(Cl)cc4n23)cc1
InChIInChI=1S/C22H15ClN2OS/c1-26-17-10-7-15(8-11-17)21-20(14-5-3-2-4-6-14)24-22-25(21)18-13-16(23)9-12-19(18)27-22/h2-13H,1H3
InChIKeyFRNKYCRHHJYWTA-UHFFFAOYSA-N
XLogP6.55
TPSA26.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.90
LogP ≤ 56.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-chloro-1-(4-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole
CID 164885631
1-(1,3-benzothiazol-2-yl)-6-chloro-2-phenylimidazo[2,1-b][1,3]benzothiazole
CID 134843312
6-ethoxy-2-phenyl-1-(3,4,5-trimethoxyphenyl)imidazo[2,1-b][1,3]benzothiazole
CID 155813131
1-(2,4-dimethoxyphenyl)-6-ethoxy-2-phenylimidazo[2,1-b][1,3]benzothiazole
CID 155816074
6-chloro-2-(4-methoxyphenyl)-3-phenylquinoxaline
CID 118726434
1-dibenzofuran-2-yl-2-phenyl-7-(9-phenylcarbazol-3-yl)imidazo[2,1-b][1,3]benzothiazole
CID 138539007
2-methyl-1-phenylimidazo[2,1-b][1,3]benzothiazole
CID 142553581
2-[(3-chlorophenyl)methylidene]-5,6-diphenylimidazo[2,1-b][1,3]thiazol-3-one
CID 2869267
(2E)-2-[(4-chlorophenyl)methylidene]-5,6-diphenylimidazo[2,1-b][1,3]thiazol-3-one
CID 7241004
[2-(4-chlorophenyl)imidazo[2,1-b][1,3]benzothiazol-1-yl]methanol
CID 15580444
2-amino-7-chloro-[1,3,5]triazino[2,1-b][1,3]benzothiazol-4-one
CID 86239917
5-(3,5-dimethoxyphenyl)-2,3-diphenylimidazo[1,2-c]quinazoline
CID 139235828

Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-(4-methoxyphenyl)-2-phenylimidazo[2,1-b][1,3]benzothiazole?
The IUPAC name of 7-chloro-1-(4-methoxyphenyl)-2-phenylimidazo[2,1-b][1,3]benzothiazole (CID 176904355) is 7-chloro-1-(4-methoxyphenyl)-2-phenylimidazo[2,1-b][1,3]benzothiazole.
What is the SMILES notation for 7-chloro-1-(4-methoxyphenyl)-2-phenylimidazo[2,1-b][1,3]benzothiazole?
The canonical SMILES for 7-chloro-1-(4-methoxyphenyl)-2-phenylimidazo[2,1-b][1,3]benzothiazole is COc1ccc(-c2c(-c3ccccc3)nc3sc4ccc(Cl)cc4n23)cc1.
What is the InChIKey of 7-chloro-1-(4-methoxyphenyl)-2-phenylimidazo[2,1-b][1,3]benzothiazole?
The InChIKey is FRNKYCRHHJYWTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClN2OS/c1-26-17-10-7-15(8-11-17)21-20(14-5-3-2-4-6-14)24-22-25(21)18-13-16(23)9-12-19(18)27-22/h2-13H,1H3.
What are the key properties of 7-chloro-1-(4-methoxyphenyl)-2-phenylimidazo[2,1-b][1,3]benzothiazole?
7-chloro-1-(4-methoxyphenyl)-2-phenylimidazo[2,1-b][1,3]benzothiazole has a molecular weight of 390.90 g/mol, XLogP of 6.55, 3 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)-2-phenylimidazo[2,1-b][1,3]benzothiazole is sourced from PubChem (CID 176904355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).