6-methyl-2-(5-methyl-1-benzofuran-2-yl)imidazo[2,1-b][1,3]benzothiazole

C19H14N2OS — CID 44607435

IUPAC6-methyl-2-(5-methyl-1-benzofuran-2-yl)imidazo[2,1-b][1,3]benzothiazole
SMILESCc1ccc2oc(-c3cn4c(n3)sc3cc(C)ccc34)cc2c1
InChIInChI=1S/C19H14N2OS/c1-11-4-6-16-13(7-11)9-17(22-16)14-10-21-15-5-3-12(2)8-18(15)23-19(21)20-14/h3-10H,1-2H3
InChIKeyCCUYPQCWEBTJAL-UHFFFAOYSA-N
MW318.40 g/mol
LogP5.58
Rot. Bonds1

About 6-methyl-2-(5-methyl-1-benzofuran-2-yl)imidazo[2,1-b][1,3]benzothiazole

6-methyl-2-(5-methyl-1-benzofuran-2-yl)imidazo[2,1-b][1,3]benzothiazole (PubChem CID 44607435) has the molecular formula C19H14N2OS and a molecular weight of 318.40 g/mol. Its IUPAC name is 6-methyl-2-(5-methyl-1-benzofuran-2-yl)imidazo[2,1-b][1,3]benzothiazole.

Molecular Properties

Compound Name6-methyl-2-(5-methyl-1-benzofuran-2-yl)imidazo[2,1-b][1,3]benzothiazole
PubChem CID44607435
Molecular FormulaC19H14N2OS
Molecular Weight318.40 g/mol
Exact Mass318.08
IUPAC Name6-methyl-2-(5-methyl-1-benzofuran-2-yl)imidazo[2,1-b][1,3]benzothiazole
SMILESCc1ccc2oc(-c3cn4c(n3)sc3cc(C)ccc34)cc2c1
InChIInChI=1S/C19H14N2OS/c1-11-4-6-16-13(7-11)9-17(22-16)14-10-21-15-5-3-12(2)8-18(15)23-19(21)20-14/h3-10H,1-2H3
InChIKeyCCUYPQCWEBTJAL-UHFFFAOYSA-N
XLogP5.58
TPSA30.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.40
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-chloro-1-benzofuran-2-yl)-6-methylimidazo[2,1-b][1,3]benzothiazole
CID 44607261
3-(6-methylimidazo[2,1-b][1,3]benzothiazol-2-yl)phenol
CID 12811336
1-(6-methylimidazo[2,1-b][1,3]benzothiazol-2-yl)ethanamine;hydrochloride
CID 82019098
[2-(4-methylphenyl)imidazo[2,1-b][1,3]benzothiazol-6-yl]phosphane
CID 145482411
2-(2,4-dimethoxyphenyl)-6-methylimidazo[2,1-b][1,3]benzothiazole
CID 735306
6-bromo-3-(6-fluoroimidazo[2,1-b][1,3]benzothiazol-2-yl)chromen-2-one
CID 1119398
8-ethoxy-3-(6-methylimidazo[2,1-b][1,3]benzothiazol-2-yl)chromen-2-one
CID 4066054
2-bromo-6-(5-methyl-1-benzofuran-2-yl)pyridine
CID 114734121
2-(2,4-dimethylphenyl)-6-ethoxyimidazo[2,1-b][1,3]benzothiazole
CID 19209821
2-(3-methylphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxylic acid
CID 164571656
2-(2-oxochromen-3-yl)imidazo[2,1-b][1,3]benzothiazole-6-sulfonamide
CID 71570660
3-chloro-6-(5-methyl-1-benzofuran-2-yl)pyridazine
CID 114734095

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(5-methyl-1-benzofuran-2-yl)imidazo[2,1-b][1,3]benzothiazole?
The IUPAC name of 6-methyl-2-(5-methyl-1-benzofuran-2-yl)imidazo[2,1-b][1,3]benzothiazole (CID 44607435) is 6-methyl-2-(5-methyl-1-benzofuran-2-yl)imidazo[2,1-b][1,3]benzothiazole.
What is the SMILES notation for 6-methyl-2-(5-methyl-1-benzofuran-2-yl)imidazo[2,1-b][1,3]benzothiazole?
The canonical SMILES for 6-methyl-2-(5-methyl-1-benzofuran-2-yl)imidazo[2,1-b][1,3]benzothiazole is Cc1ccc2oc(-c3cn4c(n3)sc3cc(C)ccc34)cc2c1.
What is the InChIKey of 6-methyl-2-(5-methyl-1-benzofuran-2-yl)imidazo[2,1-b][1,3]benzothiazole?
The InChIKey is CCUYPQCWEBTJAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2OS/c1-11-4-6-16-13(7-11)9-17(22-16)14-10-21-15-5-3-12(2)8-18(15)23-19(21)20-14/h3-10H,1-2H3.
What are the key properties of 6-methyl-2-(5-methyl-1-benzofuran-2-yl)imidazo[2,1-b][1,3]benzothiazole?
6-methyl-2-(5-methyl-1-benzofuran-2-yl)imidazo[2,1-b][1,3]benzothiazole has a molecular weight of 318.40 g/mol, XLogP of 5.58, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(5-methyl-1-benzofuran-2-yl)imidazo[2,1-b][1,3]benzothiazole is sourced from PubChem (CID 44607435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).