N-(furan-2-ylmethyl)-2-(4-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide

C22H17N3O3S — CID 22523560

IUPACN-(furan-2-ylmethyl)-2-(4-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
SMILESCOc1ccc(-c2cn3c(n2)sc2cc(C(=O)NCc4ccco4)ccc23)cc1
InChIInChI=1S/C22H17N3O3S/c1-27-16-7-4-14(5-8-16)18-13-25-19-9-6-15(11-20(19)29-22(25)24-18)21(26)23-12-17-3-2-10-28-17/h2-11,13H,12H2,1H3,(H,23,26)
InChIKeyDFCJGAOBVGLJQM-UHFFFAOYSA-N
MW403.46 g/mol
LogP4.75
Rot. Bonds5

About N-(furan-2-ylmethyl)-2-(4-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide

N-(furan-2-ylmethyl)-2-(4-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide (PubChem CID 22523560) has the molecular formula C22H17N3O3S and a molecular weight of 403.46 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-(4-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-(4-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
PubChem CID22523560
Molecular FormulaC22H17N3O3S
Molecular Weight403.46 g/mol
Exact Mass403.10
IUPAC NameN-(furan-2-ylmethyl)-2-(4-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
SMILESCOc1ccc(-c2cn3c(n2)sc2cc(C(=O)NCc4ccco4)ccc23)cc1
InChIInChI=1S/C22H17N3O3S/c1-27-16-7-4-14(5-8-16)18-13-25-19-9-6-15(11-20(19)29-22(25)24-18)21(26)23-12-17-3-2-10-28-17/h2-11,13H,12H2,1H3,(H,23,26)
InChIKeyDFCJGAOBVGLJQM-UHFFFAOYSA-N
XLogP4.75
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.46
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-fluorophenyl)methyl]-2-(4-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
CID 22523573
N-benzyl-2-(3-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
CID 22523651
N-(furan-2-ylmethyl)-6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42270020
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
CID 22523558
2-(3-methoxyphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
CID 22523670
N-ethyl-2-(4-methylphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
CID 22523510
[2-(4-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazol-6-yl]-morpholin-4-ylmethanone
CID 22523538
2-(4-ethoxyphenyl)-N-(2-phenylpropyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
CID 22523820
N-(furan-2-ylmethyl)-1-[(4-methoxyphenyl)methyl]benzotriazole-5-carboxamide
CID 53111173
N-(furan-2-ylmethyl)-3-(4-methoxyphenyl)-5-oxo-1H-triazolo[1,5-a]quinazoline-8-carboxamide
CID 46274663
N-(furan-2-ylmethyl)-1,3-bis(4-methoxyphenyl)pyrazole-5-carboxamide
CID 4597615
2-(4-ethylphenyl)-6-methoxyimidazo[2,1-b][1,3]benzothiazole
CID 19209631

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-(4-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-(4-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide (CID 22523560) is N-(furan-2-ylmethyl)-2-(4-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-(4-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-(4-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide is COc1ccc(-c2cn3c(n2)sc2cc(C(=O)NCc4ccco4)ccc23)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-(4-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide?
The InChIKey is DFCJGAOBVGLJQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O3S/c1-27-16-7-4-14(5-8-16)18-13-25-19-9-6-15(11-20(19)29-22(25)24-18)21(26)23-12-17-3-2-10-28-17/h2-11,13H,12H2,1H3,(H,23,26).
What are the key properties of N-(furan-2-ylmethyl)-2-(4-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide?
N-(furan-2-ylmethyl)-2-(4-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide has a molecular weight of 403.46 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-(4-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide is sourced from PubChem (CID 22523560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).