2-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-3H-1,2-benzothiazol-3-yl]-N-hydroxyacetamide

C19H23N3O3S — CID 89005886

IUPAC2-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-3H-1,2-benzothiazol-3-yl]-N-hydroxyacetamide
SMILESCN(C)CCOc1ccc(N2Sc3ccccc3C2CC(=O)NO)cc1
InChIInChI=1S/C19H23N3O3S/c1-21(2)11-12-25-15-9-7-14(8-10-15)22-17(13-19(23)20-24)16-5-3-4-6-18(16)26-22/h3-10,17,24H,11-13H2,1-2H3,(H,20,23)
InChIKeyAILGZUREVQHHLW-UHFFFAOYSA-N
MW373.48 g/mol
LogP3.09
Rot. Bonds7

About 2-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-3H-1,2-benzothiazol-3-yl]-N-hydroxyacetamide

2-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-3H-1,2-benzothiazol-3-yl]-N-hydroxyacetamide (PubChem CID 89005886) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is 2-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-3H-1,2-benzothiazol-3-yl]-N-hydroxyacetamide.

Molecular Properties

Compound Name2-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-3H-1,2-benzothiazol-3-yl]-N-hydroxyacetamide
PubChem CID89005886
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC Name2-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-3H-1,2-benzothiazol-3-yl]-N-hydroxyacetamide
SMILESCN(C)CCOc1ccc(N2Sc3ccccc3C2CC(=O)NO)cc1
InChIInChI=1S/C19H23N3O3S/c1-21(2)11-12-25-15-9-7-14(8-10-15)22-17(13-19(23)20-24)16-5-3-4-6-18(16)26-22/h3-10,17,24H,11-13H2,1-2H3,(H,20,23)
InChIKeyAILGZUREVQHHLW-UHFFFAOYSA-N
XLogP3.09
TPSA65.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-3H-1,2-benzothiazol-3-yl]-N-hydroxyacetamide?
The IUPAC name of 2-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-3H-1,2-benzothiazol-3-yl]-N-hydroxyacetamide (CID 89005886) is 2-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-3H-1,2-benzothiazol-3-yl]-N-hydroxyacetamide.
What is the SMILES notation for 2-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-3H-1,2-benzothiazol-3-yl]-N-hydroxyacetamide?
The canonical SMILES for 2-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-3H-1,2-benzothiazol-3-yl]-N-hydroxyacetamide is CN(C)CCOc1ccc(N2Sc3ccccc3C2CC(=O)NO)cc1.
What is the InChIKey of 2-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-3H-1,2-benzothiazol-3-yl]-N-hydroxyacetamide?
The InChIKey is AILGZUREVQHHLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-21(2)11-12-25-15-9-7-14(8-10-15)22-17(13-19(23)20-24)16-5-3-4-6-18(16)26-22/h3-10,17,24H,11-13H2,1-2H3,(H,20,23).
What are the key properties of 2-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-3H-1,2-benzothiazol-3-yl]-N-hydroxyacetamide?
2-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-3H-1,2-benzothiazol-3-yl]-N-hydroxyacetamide has a molecular weight of 373.48 g/mol, XLogP of 3.09, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-3H-1,2-benzothiazol-3-yl]-N-hydroxyacetamide is sourced from PubChem (CID 89005886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).