2-(3,4-dimethylphenyl)-8-methylimidazo[2,1-b][1,3]benzothiazole

C18H16N2S — CID 19209712

IUPAC2-(3,4-dimethylphenyl)-8-methylimidazo[2,1-b][1,3]benzothiazole
SMILESCc1ccc(-c2cn3c(n2)sc2cccc(C)c23)cc1C
InChIInChI=1S/C18H16N2S/c1-11-7-8-14(9-13(11)3)15-10-20-17-12(2)5-4-6-16(17)21-18(20)19-15/h4-10H,1-3H3
InChIKeyOCDLRPVQTLSARC-UHFFFAOYSA-N
MW292.41 g/mol
LogP5.14
Rot. Bonds1

About 2-(3,4-dimethylphenyl)-8-methylimidazo[2,1-b][1,3]benzothiazole

2-(3,4-dimethylphenyl)-8-methylimidazo[2,1-b][1,3]benzothiazole (PubChem CID 19209712) has the molecular formula C18H16N2S and a molecular weight of 292.41 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)-8-methylimidazo[2,1-b][1,3]benzothiazole.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)-8-methylimidazo[2,1-b][1,3]benzothiazole
PubChem CID19209712
Molecular FormulaC18H16N2S
Molecular Weight292.41 g/mol
Exact Mass292.10
IUPAC Name2-(3,4-dimethylphenyl)-8-methylimidazo[2,1-b][1,3]benzothiazole
SMILESCc1ccc(-c2cn3c(n2)sc2cccc(C)c23)cc1C
InChIInChI=1S/C18H16N2S/c1-11-7-8-14(9-13(11)3)15-10-20-17-12(2)5-4-6-16(17)21-18(20)19-15/h4-10H,1-3H3
InChIKeyOCDLRPVQTLSARC-UHFFFAOYSA-N
XLogP5.14
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.41
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)-8-methylimidazo[2,1-b][1,3]benzothiazole?
The IUPAC name of 2-(3,4-dimethylphenyl)-8-methylimidazo[2,1-b][1,3]benzothiazole (CID 19209712) is 2-(3,4-dimethylphenyl)-8-methylimidazo[2,1-b][1,3]benzothiazole.
What is the SMILES notation for 2-(3,4-dimethylphenyl)-8-methylimidazo[2,1-b][1,3]benzothiazole?
The canonical SMILES for 2-(3,4-dimethylphenyl)-8-methylimidazo[2,1-b][1,3]benzothiazole is Cc1ccc(-c2cn3c(n2)sc2cccc(C)c23)cc1C.
What is the InChIKey of 2-(3,4-dimethylphenyl)-8-methylimidazo[2,1-b][1,3]benzothiazole?
The InChIKey is OCDLRPVQTLSARC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2S/c1-11-7-8-14(9-13(11)3)15-10-20-17-12(2)5-4-6-16(17)21-18(20)19-15/h4-10H,1-3H3.
What are the key properties of 2-(3,4-dimethylphenyl)-8-methylimidazo[2,1-b][1,3]benzothiazole?
2-(3,4-dimethylphenyl)-8-methylimidazo[2,1-b][1,3]benzothiazole has a molecular weight of 292.41 g/mol, XLogP of 5.14, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)-8-methylimidazo[2,1-b][1,3]benzothiazole is sourced from PubChem (CID 19209712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).