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

C19H17N3OS — CID 22523510

IUPACN-ethyl-2-(4-methylphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
SMILESCCNC(=O)c1ccc2c(c1)sc1nc(-c3ccc(C)cc3)cn12
InChIInChI=1S/C19H17N3OS/c1-3-20-18(23)14-8-9-16-17(10-14)24-19-21-15(11-22(16)19)13-6-4-12(2)5-7-13/h4-11H,3H2,1-2H3,(H,20,23)
InChIKeyINJRQMUCRHTXTQ-UHFFFAOYSA-N
MW335.43 g/mol
LogP4.27
Rot. Bonds3

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

N-ethyl-2-(4-methylphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide (PubChem CID 22523510) has the molecular formula C19H17N3OS and a molecular weight of 335.43 g/mol. Its IUPAC name is N-ethyl-2-(4-methylphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide.

Molecular Properties

Compound NameN-ethyl-2-(4-methylphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
PubChem CID22523510
Molecular FormulaC19H17N3OS
Molecular Weight335.43 g/mol
Exact Mass335.11
IUPAC NameN-ethyl-2-(4-methylphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
SMILESCCNC(=O)c1ccc2c(c1)sc1nc(-c3ccc(C)cc3)cn12
InChIInChI=1S/C19H17N3OS/c1-3-20-18(23)14-8-9-16-17(10-14)24-19-21-15(11-22(16)19)13-6-4-12(2)5-7-13/h4-11H,3H2,1-2H3,(H,20,23)
InChIKeyINJRQMUCRHTXTQ-UHFFFAOYSA-N
XLogP4.27
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methylcyclohexyl)-2-(4-methylphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
CID 22523505
5-amino-1-[2-(4-methylphenyl)imidazo[2,1-b][1,3]benzothiazol-6-yl]pentan-1-one
CID 167596733
2-[4-(methylcarbamoyl)phenyl]imidazo[2,1-b][1,3]benzothiazole-6-carboxylic acid
CID 164571923
N-butan-2-yl-2-(4-fluorophenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
CID 22523757
2-(4-fluorophenyl)-N-(3-propylsulfanylpropyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
CID 22523788
N-[(4-hydroxycyclohexyl)methyl]-2-[4-(methylcarbamoyl)phenyl]imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
CID 167163411
N-(2,3-dimethylcyclohexyl)-2-(4-methylphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
CID 22523506
N-[(4-fluorophenyl)methyl]-2-(4-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
CID 22523573
2-phenyl-N-(pyridin-2-ylmethyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
CID 22523691
2-(2,4-dimethylphenyl)-N-(2-methoxyethyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
CID 22523855
N-butan-2-yl-2-(4-ethoxyphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
CID 22523809
2-(4-ethoxyphenyl)-N-(2-phenylpropyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
CID 22523820

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(4-methylphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide?
The IUPAC name of N-ethyl-2-(4-methylphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide (CID 22523510) is N-ethyl-2-(4-methylphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide.
What is the SMILES notation for N-ethyl-2-(4-methylphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide?
The canonical SMILES for N-ethyl-2-(4-methylphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide is CCNC(=O)c1ccc2c(c1)sc1nc(-c3ccc(C)cc3)cn12.
What is the InChIKey of N-ethyl-2-(4-methylphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide?
The InChIKey is INJRQMUCRHTXTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3OS/c1-3-20-18(23)14-8-9-16-17(10-14)24-19-21-15(11-22(16)19)13-6-4-12(2)5-7-13/h4-11H,3H2,1-2H3,(H,20,23).
What are the key properties of N-ethyl-2-(4-methylphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide?
N-ethyl-2-(4-methylphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide has a molecular weight of 335.43 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(4-methylphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide is sourced from PubChem (CID 22523510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).