2-(4-methylphenyl)imidazo[2,1-b][1,3]benzothiazole

C16H12N2S — CID 2760645

IUPAC2-(4-methylphenyl)imidazo[2,1-b][1,3]benzothiazole
SMILESCc1ccc(-c2cn3c(n2)sc2ccccc23)cc1
InChIInChI=1S/C16H12N2S/c1-11-6-8-12(9-7-11)13-10-18-14-4-2-3-5-15(14)19-16(18)17-13/h2-10H,1H3
InChIKeyDNVNCTMGCFFMME-UHFFFAOYSA-N
MW264.35 g/mol
LogP4.52
Rot. Bonds1

About 2-(4-methylphenyl)imidazo[2,1-b][1,3]benzothiazole

2-(4-methylphenyl)imidazo[2,1-b][1,3]benzothiazole (PubChem CID 2760645) has the molecular formula C16H12N2S and a molecular weight of 264.35 g/mol. Its IUPAC name is 2-(4-methylphenyl)imidazo[2,1-b][1,3]benzothiazole.

Molecular Properties

Compound Name2-(4-methylphenyl)imidazo[2,1-b][1,3]benzothiazole
PubChem CID2760645
Molecular FormulaC16H12N2S
Molecular Weight264.35 g/mol
Exact Mass264.07
IUPAC Name2-(4-methylphenyl)imidazo[2,1-b][1,3]benzothiazole
SMILESCc1ccc(-c2cn3c(n2)sc2ccccc23)cc1
InChIInChI=1S/C16H12N2S/c1-11-6-8-12(9-7-11)13-10-18-14-4-2-3-5-15(14)19-16(18)17-13/h2-10H,1H3
InChIKeyDNVNCTMGCFFMME-UHFFFAOYSA-N
XLogP4.52
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)imidazo[2,1-b][1,3]benzothiazole?
The IUPAC name of 2-(4-methylphenyl)imidazo[2,1-b][1,3]benzothiazole (CID 2760645) is 2-(4-methylphenyl)imidazo[2,1-b][1,3]benzothiazole.
What is the SMILES notation for 2-(4-methylphenyl)imidazo[2,1-b][1,3]benzothiazole?
The canonical SMILES for 2-(4-methylphenyl)imidazo[2,1-b][1,3]benzothiazole is Cc1ccc(-c2cn3c(n2)sc2ccccc23)cc1.
What is the InChIKey of 2-(4-methylphenyl)imidazo[2,1-b][1,3]benzothiazole?
The InChIKey is DNVNCTMGCFFMME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2S/c1-11-6-8-12(9-7-11)13-10-18-14-4-2-3-5-15(14)19-16(18)17-13/h2-10H,1H3.
What are the key properties of 2-(4-methylphenyl)imidazo[2,1-b][1,3]benzothiazole?
2-(4-methylphenyl)imidazo[2,1-b][1,3]benzothiazole has a molecular weight of 264.35 g/mol, XLogP of 4.52, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)imidazo[2,1-b][1,3]benzothiazole is sourced from PubChem (CID 2760645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).