N-(2,3-dimethylcyclohexyl)-2-(4-methylphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide

C25H27N3OS — CID 22523506

IUPACN-(2,3-dimethylcyclohexyl)-2-(4-methylphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
SMILESCc1ccc(-c2cn3c(n2)sc2cc(C(=O)NC4CCCC(C)C4C)ccc23)cc1
InChIInChI=1S/C25H27N3OS/c1-15-7-9-18(10-8-15)21-14-28-22-12-11-19(13-23(22)30-25(28)27-21)24(29)26-20-6-4-5-16(2)17(20)3/h7-14,16-17,20H,4-6H2,1-3H3,(H,26,29)
InChIKeySQHNHCLEAVKQJX-UHFFFAOYSA-N
MW417.58 g/mol
LogP6.08
Rot. Bonds3

About N-(2,3-dimethylcyclohexyl)-2-(4-methylphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide

N-(2,3-dimethylcyclohexyl)-2-(4-methylphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide (PubChem CID 22523506) has the molecular formula C25H27N3OS and a molecular weight of 417.58 g/mol. Its IUPAC name is N-(2,3-dimethylcyclohexyl)-2-(4-methylphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide.

Molecular Properties

Compound NameN-(2,3-dimethylcyclohexyl)-2-(4-methylphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
PubChem CID22523506
Molecular FormulaC25H27N3OS
Molecular Weight417.58 g/mol
Exact Mass417.19
IUPAC NameN-(2,3-dimethylcyclohexyl)-2-(4-methylphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
SMILESCc1ccc(-c2cn3c(n2)sc2cc(C(=O)NC4CCCC(C)C4C)ccc23)cc1
InChIInChI=1S/C25H27N3OS/c1-15-7-9-18(10-8-15)21-14-28-22-12-11-19(13-23(22)30-25(28)27-21)24(29)26-20-6-4-5-16(2)17(20)3/h7-14,16-17,20H,4-6H2,1-3H3,(H,26,29)
InChIKeySQHNHCLEAVKQJX-UHFFFAOYSA-N
XLogP6.08
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.58
LogP ≤ 56.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylcyclohexyl)-2-(4-methylphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide?
The IUPAC name of N-(2,3-dimethylcyclohexyl)-2-(4-methylphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide (CID 22523506) is N-(2,3-dimethylcyclohexyl)-2-(4-methylphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide.
What is the SMILES notation for N-(2,3-dimethylcyclohexyl)-2-(4-methylphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide?
The canonical SMILES for N-(2,3-dimethylcyclohexyl)-2-(4-methylphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide is Cc1ccc(-c2cn3c(n2)sc2cc(C(=O)NC4CCCC(C)C4C)ccc23)cc1.
What is the InChIKey of N-(2,3-dimethylcyclohexyl)-2-(4-methylphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide?
The InChIKey is SQHNHCLEAVKQJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3OS/c1-15-7-9-18(10-8-15)21-14-28-22-12-11-19(13-23(22)30-25(28)27-21)24(29)26-20-6-4-5-16(2)17(20)3/h7-14,16-17,20H,4-6H2,1-3H3,(H,26,29).
What are the key properties of N-(2,3-dimethylcyclohexyl)-2-(4-methylphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide?
N-(2,3-dimethylcyclohexyl)-2-(4-methylphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide has a molecular weight of 417.58 g/mol, XLogP of 6.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylcyclohexyl)-2-(4-methylphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide is sourced from PubChem (CID 22523506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).