3-amino-2-ethoxy-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzamide

C13H15N3O3S — CID 106379162

IUPAC3-amino-2-ethoxy-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzamide
SMILESCCOc1c(N)cccc1C(=O)NCc1csc(=O)[nH]1
InChIInChI=1S/C13H15N3O3S/c1-2-19-11-9(4-3-5-10(11)14)12(17)15-6-8-7-20-13(18)16-8/h3-5,7H,2,6,14H2,1H3,(H,15,17)(H,16,18)
InChIKeyBUBZTKPXARQLDM-UHFFFAOYSA-N
MW293.35 g/mol
LogP1.35
Rot. Bonds5

About 3-amino-2-ethoxy-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzamide

3-amino-2-ethoxy-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzamide (PubChem CID 106379162) has the molecular formula C13H15N3O3S and a molecular weight of 293.35 g/mol. Its IUPAC name is 3-amino-2-ethoxy-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzamide.

Molecular Properties

Compound Name3-amino-2-ethoxy-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzamide
PubChem CID106379162
Molecular FormulaC13H15N3O3S
Molecular Weight293.35 g/mol
Exact Mass293.08
IUPAC Name3-amino-2-ethoxy-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzamide
SMILESCCOc1c(N)cccc1C(=O)NCc1csc(=O)[nH]1
InChIInChI=1S/C13H15N3O3S/c1-2-19-11-9(4-3-5-10(11)14)12(17)15-6-8-7-20-13(18)16-8/h3-5,7H,2,6,14H2,1H3,(H,15,17)(H,16,18)
InChIKeyBUBZTKPXARQLDM-UHFFFAOYSA-N
XLogP1.35
TPSA97.21 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-2-ethoxy-N-methylbenzamide
CID 112693169
2-(2-aminophenoxy)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]acetamide
CID 106379163
2-amino-5-bromo-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzamide
CID 106382415
3-amino-2-ethoxy-N-(2-hydroxypropyl)benzamide
CID 113386382
2-amino-5-fluoro-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzamide
CID 114181175
2-fluoro-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide
CID 107358887
4-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide
CID 114181781
N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-2-(propylamino)pyridine-3-carboxamide
CID 106383409
3-amino-N-(2,2-dimethylbutyl)-2-ethoxybenzamide
CID 103459929
N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propanamide
CID 103775054
3-amino-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]benzamide
CID 106383250
3-amino-2-ethoxy-N-(5-hydroxypentyl)benzamide
CID 107316231

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-ethoxy-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzamide?
The IUPAC name of 3-amino-2-ethoxy-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzamide (CID 106379162) is 3-amino-2-ethoxy-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzamide.
What is the SMILES notation for 3-amino-2-ethoxy-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzamide?
The canonical SMILES for 3-amino-2-ethoxy-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzamide is CCOc1c(N)cccc1C(=O)NCc1csc(=O)[nH]1.
What is the InChIKey of 3-amino-2-ethoxy-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzamide?
The InChIKey is BUBZTKPXARQLDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3S/c1-2-19-11-9(4-3-5-10(11)14)12(17)15-6-8-7-20-13(18)16-8/h3-5,7H,2,6,14H2,1H3,(H,15,17)(H,16,18).
What are the key properties of 3-amino-2-ethoxy-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzamide?
3-amino-2-ethoxy-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzamide has a molecular weight of 293.35 g/mol, XLogP of 1.35, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-ethoxy-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzamide is sourced from PubChem (CID 106379162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).