6-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-2-methyl-1,3-benzothiazole

C17H15N3S — CID 153383075

IUPAC6-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-2-methyl-1,3-benzothiazole
SMILESCc1cn2cc(-c3ccc4nc(C)sc4c3)cc(C)c2n1
InChIInChI=1S/C17H15N3S/c1-10-6-14(9-20-8-11(2)18-17(10)20)13-4-5-15-16(7-13)21-12(3)19-15/h4-9H,1-3H3
InChIKeyXUUDVTMPSTUCCM-UHFFFAOYSA-N
MW293.40 g/mol
LogP4.54
Rot. Bonds1

About 6-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-2-methyl-1,3-benzothiazole

6-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-2-methyl-1,3-benzothiazole (PubChem CID 153383075) has the molecular formula C17H15N3S and a molecular weight of 293.40 g/mol. Its IUPAC name is 6-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-2-methyl-1,3-benzothiazole.

Molecular Properties

Compound Name6-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-2-methyl-1,3-benzothiazole
PubChem CID153383075
Molecular FormulaC17H15N3S
Molecular Weight293.40 g/mol
Exact Mass293.10
IUPAC Name6-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-2-methyl-1,3-benzothiazole
SMILESCc1cn2cc(-c3ccc4nc(C)sc4c3)cc(C)c2n1
InChIInChI=1S/C17H15N3S/c1-10-6-14(9-20-8-11(2)18-17(10)20)13-4-5-15-16(7-13)21-12(3)19-15/h4-9H,1-3H3
InChIKeyXUUDVTMPSTUCCM-UHFFFAOYSA-N
XLogP4.54
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.40
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-2-methyl-1,3-benzothiazole?
The IUPAC name of 6-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-2-methyl-1,3-benzothiazole (CID 153383075) is 6-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-2-methyl-1,3-benzothiazole.
What is the SMILES notation for 6-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-2-methyl-1,3-benzothiazole?
The canonical SMILES for 6-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-2-methyl-1,3-benzothiazole is Cc1cn2cc(-c3ccc4nc(C)sc4c3)cc(C)c2n1.
What is the InChIKey of 6-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-2-methyl-1,3-benzothiazole?
The InChIKey is XUUDVTMPSTUCCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3S/c1-10-6-14(9-20-8-11(2)18-17(10)20)13-4-5-15-16(7-13)21-12(3)19-15/h4-9H,1-3H3.
What are the key properties of 6-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-2-methyl-1,3-benzothiazole?
6-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-2-methyl-1,3-benzothiazole has a molecular weight of 293.40 g/mol, XLogP of 4.54, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-2-methyl-1,3-benzothiazole is sourced from PubChem (CID 153383075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).