N-[4-(6-hydroxyimidazo[2,1-b][1,3]benzothiazol-2-yl)phenyl]-N-methylacetamide

C18H15N3O2S — CID 66795428

IUPACN-[4-(6-hydroxyimidazo[2,1-b][1,3]benzothiazol-2-yl)phenyl]-N-methylacetamide
SMILESCC(=O)N(C)c1ccc(-c2cn3c(n2)sc2cc(O)ccc23)cc1
InChIInChI=1S/C18H15N3O2S/c1-11(22)20(2)13-5-3-12(4-6-13)15-10-21-16-8-7-14(23)9-17(16)24-18(21)19-15/h3-10,23H,1-2H3
InChIKeyBVAFOGJKKZOHCZ-UHFFFAOYSA-N
MW337.40 g/mol
LogP3.90
Rot. Bonds2

About N-[4-(6-hydroxyimidazo[2,1-b][1,3]benzothiazol-2-yl)phenyl]-N-methylacetamide

N-[4-(6-hydroxyimidazo[2,1-b][1,3]benzothiazol-2-yl)phenyl]-N-methylacetamide (PubChem CID 66795428) has the molecular formula C18H15N3O2S and a molecular weight of 337.40 g/mol. Its IUPAC name is N-[4-(6-hydroxyimidazo[2,1-b][1,3]benzothiazol-2-yl)phenyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[4-(6-hydroxyimidazo[2,1-b][1,3]benzothiazol-2-yl)phenyl]-N-methylacetamide
PubChem CID66795428
Molecular FormulaC18H15N3O2S
Molecular Weight337.40 g/mol
Exact Mass337.09
IUPAC NameN-[4-(6-hydroxyimidazo[2,1-b][1,3]benzothiazol-2-yl)phenyl]-N-methylacetamide
SMILESCC(=O)N(C)c1ccc(-c2cn3c(n2)sc2cc(O)ccc23)cc1
InChIInChI=1S/C18H15N3O2S/c1-11(22)20(2)13-5-3-12(4-6-13)15-10-21-16-8-7-14(23)9-17(16)24-18(21)19-15/h3-10,23H,1-2H3
InChIKeyBVAFOGJKKZOHCZ-UHFFFAOYSA-N
XLogP3.90
TPSA57.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-pyrrolidin-1-ylphenyl)imidazo[2,1-b][1,3]benzothiazol-6-ol
CID 51002653
4-(6-(123I)iodoimidazo[2,1-b][1,3]benzothiazol-2-yl)-N,N-dimethyl(123I)aniline
CID 24756735
3-(6-methylimidazo[2,1-b][1,3]benzothiazol-2-yl)phenol
CID 12811336
[2-(4-methylphenyl)imidazo[2,1-b][1,3]benzothiazol-6-yl]phosphane
CID 145482411
2-(4-chlorophenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxylic acid
CID 20886950
2-[4-(methylcarbamoyl)phenyl]imidazo[2,1-b][1,3]benzothiazole-6-carboxylic acid
CID 164571923
N-(4-imidazo[2,1-b][1,3]benzothiazol-2-ylphenyl)-N-oxidohydroxylamine
CID 163145309
N-ethyl-2-(4-methylphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
CID 22523510
2-(4-chlorophenyl)-6-methylsulfonylimidazo[2,1-b][1,3]benzothiazole
CID 1211584
[2-(4-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazol-6-yl]-morpholin-4-ylmethanone
CID 22523538
5-amino-1-[2-(4-methylphenyl)imidazo[2,1-b][1,3]benzothiazol-6-yl]pentan-1-one
CID 167596733
2-[2-(4-aminophenyl)imidazo[2,1-b][1,3]benzothiazol-6-yl]butanoic acid
CID 66592978

Frequently Asked Questions

What is the IUPAC name of N-[4-(6-hydroxyimidazo[2,1-b][1,3]benzothiazol-2-yl)phenyl]-N-methylacetamide?
The IUPAC name of N-[4-(6-hydroxyimidazo[2,1-b][1,3]benzothiazol-2-yl)phenyl]-N-methylacetamide (CID 66795428) is N-[4-(6-hydroxyimidazo[2,1-b][1,3]benzothiazol-2-yl)phenyl]-N-methylacetamide.
What is the SMILES notation for N-[4-(6-hydroxyimidazo[2,1-b][1,3]benzothiazol-2-yl)phenyl]-N-methylacetamide?
The canonical SMILES for N-[4-(6-hydroxyimidazo[2,1-b][1,3]benzothiazol-2-yl)phenyl]-N-methylacetamide is CC(=O)N(C)c1ccc(-c2cn3c(n2)sc2cc(O)ccc23)cc1.
What is the InChIKey of N-[4-(6-hydroxyimidazo[2,1-b][1,3]benzothiazol-2-yl)phenyl]-N-methylacetamide?
The InChIKey is BVAFOGJKKZOHCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2S/c1-11(22)20(2)13-5-3-12(4-6-13)15-10-21-16-8-7-14(23)9-17(16)24-18(21)19-15/h3-10,23H,1-2H3.
What are the key properties of N-[4-(6-hydroxyimidazo[2,1-b][1,3]benzothiazol-2-yl)phenyl]-N-methylacetamide?
N-[4-(6-hydroxyimidazo[2,1-b][1,3]benzothiazol-2-yl)phenyl]-N-methylacetamide has a molecular weight of 337.40 g/mol, XLogP of 3.90, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-hydroxyimidazo[2,1-b][1,3]benzothiazol-2-yl)phenyl]-N-methylacetamide is sourced from PubChem (CID 66795428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).