N-(1,3-benzothiazol-2-yl)-2-(4-imidazol-1-ylphenoxy)acetamide

C18H14N4O2S — CID 86304256

IUPACN-(1,3-benzothiazol-2-yl)-2-(4-imidazol-1-ylphenoxy)acetamide
SMILESO=C(COc1ccc(-n2ccnc2)cc1)Nc1nc2ccccc2s1
InChIInChI=1S/C18H14N4O2S/c23-17(21-18-20-15-3-1-2-4-16(15)25-18)11-24-14-7-5-13(6-8-14)22-10-9-19-12-22/h1-10,12H,11H2,(H,20,21,23)
InChIKeyZBMKLRIYMFZLFO-UHFFFAOYSA-N
MW350.40 g/mol
LogP3.50
Rot. Bonds5

About N-(1,3-benzothiazol-2-yl)-2-(4-imidazol-1-ylphenoxy)acetamide

N-(1,3-benzothiazol-2-yl)-2-(4-imidazol-1-ylphenoxy)acetamide (PubChem CID 86304256) has the molecular formula C18H14N4O2S and a molecular weight of 350.40 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-2-(4-imidazol-1-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-2-(4-imidazol-1-ylphenoxy)acetamide
PubChem CID86304256
Molecular FormulaC18H14N4O2S
Molecular Weight350.40 g/mol
Exact Mass350.08
IUPAC NameN-(1,3-benzothiazol-2-yl)-2-(4-imidazol-1-ylphenoxy)acetamide
SMILESO=C(COc1ccc(-n2ccnc2)cc1)Nc1nc2ccccc2s1
InChIInChI=1S/C18H14N4O2S/c23-17(21-18-20-15-3-1-2-4-16(15)25-18)11-24-14-7-5-13(6-8-14)22-10-9-19-12-22/h1-10,12H,11H2,(H,20,21,23)
InChIKeyZBMKLRIYMFZLFO-UHFFFAOYSA-N
XLogP3.50
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,3-benzothiazol-2-yl)-4-imidazol-1-ylbenzamide
CID 31533716
2-(4-imidazol-1-ylphenoxy)-N-[2-(iodomethyl)phenyl]acetamide
CID 89365128
2-(4-imidazol-1-ylphenoxy)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 11545014
N-(1,3-benzothiazol-2-yl)-2-(4-pyrrol-1-ylphenyl)acetamide
CID 43064333
N-(3,5-dimethoxyphenyl)-2-(4-imidazol-1-ylphenoxy)acetamide
CID 4881019
2-(4-imidazol-1-ylphenoxy)-N-[4-(1,3-thiazol-5-yl)phenyl]acetamide
CID 86304415
N'-(1,3-benzothiazol-2-yl)-2-(4-methoxyphenoxy)acetohydrazide
CID 920195
N-(6-fluoro-1,3-benzothiazol-2-yl)-2-phenoxyacetamide
CID 953564
N-(1,3-benzothiazol-2-yl)-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 8882895
[5-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethoxy]-2-pyridinyl]methyl acetate
CID 139796640
2-(4-bromophenoxy)-N-[(4-imidazol-1-ylphenyl)methyl]acetamide
CID 52770659
3-amino-N-(1,3-benzothiazol-2-yl)-3-sulfanylidenepropanamide
CID 43120469

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-2-(4-imidazol-1-ylphenoxy)acetamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-2-(4-imidazol-1-ylphenoxy)acetamide (CID 86304256) is N-(1,3-benzothiazol-2-yl)-2-(4-imidazol-1-ylphenoxy)acetamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-2-(4-imidazol-1-ylphenoxy)acetamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-2-(4-imidazol-1-ylphenoxy)acetamide is O=C(COc1ccc(-n2ccnc2)cc1)Nc1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-2-(4-imidazol-1-ylphenoxy)acetamide?
The InChIKey is ZBMKLRIYMFZLFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O2S/c23-17(21-18-20-15-3-1-2-4-16(15)25-18)11-24-14-7-5-13(6-8-14)22-10-9-19-12-22/h1-10,12H,11H2,(H,20,21,23).
What are the key properties of N-(1,3-benzothiazol-2-yl)-2-(4-imidazol-1-ylphenoxy)acetamide?
N-(1,3-benzothiazol-2-yl)-2-(4-imidazol-1-ylphenoxy)acetamide has a molecular weight of 350.40 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-2-(4-imidazol-1-ylphenoxy)acetamide is sourced from PubChem (CID 86304256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).