[5-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethoxy]-2-pyridinyl]methyl acetate

C17H15N3O4S — CID 139796640

IUPAC[5-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethoxy]-2-pyridinyl]methyl acetate
SMILESCC(=O)OCc1ccc(OCC(=O)Nc2nc3ccccc3s2)cn1
InChIInChI=1S/C17H15N3O4S/c1-11(21)23-9-12-6-7-13(8-18-12)24-10-16(22)20-17-19-14-4-2-3-5-15(14)25-17/h2-8H,9-10H2,1H3,(H,19,20,22)
InChIKeyVOSJMBXCGBJMOB-UHFFFAOYSA-N
MW357.39 g/mol
LogP2.77
Rot. Bonds6

About [5-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethoxy]-2-pyridinyl]methyl acetate

[5-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethoxy]-2-pyridinyl]methyl acetate (PubChem CID 139796640) has the molecular formula C17H15N3O4S and a molecular weight of 357.39 g/mol. Its IUPAC name is [5-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethoxy]-2-pyridinyl]methyl acetate.

Molecular Properties

Compound Name[5-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethoxy]-2-pyridinyl]methyl acetate
PubChem CID139796640
Molecular FormulaC17H15N3O4S
Molecular Weight357.39 g/mol
Exact Mass357.08
IUPAC Name[5-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethoxy]-2-pyridinyl]methyl acetate
SMILESCC(=O)OCc1ccc(OCC(=O)Nc2nc3ccccc3s2)cn1
InChIInChI=1S/C17H15N3O4S/c1-11(21)23-9-12-6-7-13(8-18-12)24-10-16(22)20-17-19-14-4-2-3-5-15(14)25-17/h2-8H,9-10H2,1H3,(H,19,20,22)
InChIKeyVOSJMBXCGBJMOB-UHFFFAOYSA-N
XLogP2.77
TPSA90.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [5-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethoxy]-2-pyridinyl]methyl acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-(1,3-benzothiazol-2-yl)-2-(4-methoxyphenoxy)acetohydrazide
CID 920195
3-amino-N-(1,3-benzothiazol-2-yl)-3-sulfanylidenepropanamide
CID 43120469
[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 2097657
N-(1,3-benzothiazol-2-yl)-2-(3-heptoxyphenoxy)acetamide
CID 4733411
(2S)-2-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethoxy]propanoic acid
CID 104876136
ethyl 3-(1,3-benzothiazol-2-ylamino)-3-oxopropanoate
CID 790147
N-(1,3-benzothiazol-2-yl)-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 8882895
N-(1,3-benzothiazol-2-yl)-2-(4-imidazol-1-ylphenoxy)acetamide
CID 86304256
[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl] 4-[(4-tert-butylphenoxy)methyl]benzoate
CID 23908196
N-(1,3-benzothiazol-2-yl)-3,3-dimethylbutanamide
CID 710830
N-(1,3-benzothiazol-2-yl)-2-(2-nitrophenoxy)acetamide
CID 7793934
N-(6-fluoro-1,3-benzothiazol-2-yl)-2-phenoxyacetamide
CID 953564

Frequently Asked Questions

What is the IUPAC name of [5-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethoxy]-2-pyridinyl]methyl acetate?
The IUPAC name of [5-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethoxy]-2-pyridinyl]methyl acetate (CID 139796640) is [5-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethoxy]-2-pyridinyl]methyl acetate.
What is the SMILES notation for [5-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethoxy]-2-pyridinyl]methyl acetate?
The canonical SMILES for [5-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethoxy]-2-pyridinyl]methyl acetate is CC(=O)OCc1ccc(OCC(=O)Nc2nc3ccccc3s2)cn1.
What is the InChIKey of [5-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethoxy]-2-pyridinyl]methyl acetate?
The InChIKey is VOSJMBXCGBJMOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O4S/c1-11(21)23-9-12-6-7-13(8-18-12)24-10-16(22)20-17-19-14-4-2-3-5-15(14)25-17/h2-8H,9-10H2,1H3,(H,19,20,22).
What are the key properties of [5-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethoxy]-2-pyridinyl]methyl acetate?
[5-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethoxy]-2-pyridinyl]methyl acetate has a molecular weight of 357.39 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethoxy]-2-pyridinyl]methyl acetate is sourced from PubChem (CID 139796640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).