1,8-dimethyl-2-phenylimidazo[2,1-b][1,3]benzothiazole

C17H14N2S — CID 19209692

IUPAC1,8-dimethyl-2-phenylimidazo[2,1-b][1,3]benzothiazole
SMILESCc1cccc2sc3nc(-c4ccccc4)c(C)n3c12
InChIInChI=1S/C17H14N2S/c1-11-7-6-10-14-16(11)19-12(2)15(18-17(19)20-14)13-8-4-3-5-9-13/h3-10H,1-2H3
InChIKeyZNNPEHPBBOKMAL-UHFFFAOYSA-N
MW278.38 g/mol
LogP4.83
Rot. Bonds1

About 1,8-dimethyl-2-phenylimidazo[2,1-b][1,3]benzothiazole

1,8-dimethyl-2-phenylimidazo[2,1-b][1,3]benzothiazole (PubChem CID 19209692) has the molecular formula C17H14N2S and a molecular weight of 278.38 g/mol. Its IUPAC name is 1,8-dimethyl-2-phenylimidazo[2,1-b][1,3]benzothiazole.

Molecular Properties

Compound Name1,8-dimethyl-2-phenylimidazo[2,1-b][1,3]benzothiazole
PubChem CID19209692
Molecular FormulaC17H14N2S
Molecular Weight278.38 g/mol
Exact Mass278.09
IUPAC Name1,8-dimethyl-2-phenylimidazo[2,1-b][1,3]benzothiazole
SMILESCc1cccc2sc3nc(-c4ccccc4)c(C)n3c12
InChIInChI=1S/C17H14N2S/c1-11-7-6-10-14-16(11)19-12(2)15(18-17(19)20-14)13-8-4-3-5-9-13/h3-10H,1-2H3
InChIKeyZNNPEHPBBOKMAL-UHFFFAOYSA-N
XLogP4.83
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,8-dimethyl-2-phenylimidazo[2,1-b][1,3]benzothiazole?
The IUPAC name of 1,8-dimethyl-2-phenylimidazo[2,1-b][1,3]benzothiazole (CID 19209692) is 1,8-dimethyl-2-phenylimidazo[2,1-b][1,3]benzothiazole.
What is the SMILES notation for 1,8-dimethyl-2-phenylimidazo[2,1-b][1,3]benzothiazole?
The canonical SMILES for 1,8-dimethyl-2-phenylimidazo[2,1-b][1,3]benzothiazole is Cc1cccc2sc3nc(-c4ccccc4)c(C)n3c12.
What is the InChIKey of 1,8-dimethyl-2-phenylimidazo[2,1-b][1,3]benzothiazole?
The InChIKey is ZNNPEHPBBOKMAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2S/c1-11-7-6-10-14-16(11)19-12(2)15(18-17(19)20-14)13-8-4-3-5-9-13/h3-10H,1-2H3.
What are the key properties of 1,8-dimethyl-2-phenylimidazo[2,1-b][1,3]benzothiazole?
1,8-dimethyl-2-phenylimidazo[2,1-b][1,3]benzothiazole has a molecular weight of 278.38 g/mol, XLogP of 4.83, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8-dimethyl-2-phenylimidazo[2,1-b][1,3]benzothiazole is sourced from PubChem (CID 19209692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).