3-amino-4-ethoxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide

C13H15N3O2S — CID 61090016

IUPAC3-amino-4-ethoxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide
SMILESCCOc1ccc(C(=O)Nc2ncc(C)s2)cc1N
InChIInChI=1S/C13H15N3O2S/c1-3-18-11-5-4-9(6-10(11)14)12(17)16-13-15-7-8(2)19-13/h4-7H,3,14H2,1-2H3,(H,15,16,17)
InChIKeyARWCRYMOXQVHGZ-UHFFFAOYSA-N
MW277.35 g/mol
LogP2.68
Rot. Bonds4

About 3-amino-4-ethoxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide

3-amino-4-ethoxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide (PubChem CID 61090016) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is 3-amino-4-ethoxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-amino-4-ethoxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide
PubChem CID61090016
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC Name3-amino-4-ethoxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide
SMILESCCOc1ccc(C(=O)Nc2ncc(C)s2)cc1N
InChIInChI=1S/C13H15N3O2S/c1-3-18-11-5-4-9(6-10(11)14)12(17)16-13-15-7-8(2)19-13/h4-7H,3,14H2,1-2H3,(H,15,16,17)
InChIKeyARWCRYMOXQVHGZ-UHFFFAOYSA-N
XLogP2.68
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3,4-dimethoxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 2109069
3-amino-4-ethoxy-N-(thiatriazol-5-yl)benzamide
CID 114911608
3,5-diethoxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 59736022
3-amino-4-ethoxy-N-pyrimidin-2-ylbenzamide
CID 61093521
4-(ethylamino)-3-methyl-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 63210150
4-hydrazinyl-3-methyl-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 63211746
3-amino-4-ethoxy-N-(1,2,4-triazin-3-yl)benzamide
CID 114386749
3-bromo-4-ethoxy-5-methoxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 4814407
4-fluoro-3-methyl-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 63212388
4-(ethylamino)-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 62165674
3-(3-hydroxyprop-1-ynyl)-4-methoxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 61033971
6-bromo-N-(5-methyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 66463454

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-ethoxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 3-amino-4-ethoxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide (CID 61090016) is 3-amino-4-ethoxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 3-amino-4-ethoxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 3-amino-4-ethoxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide is CCOc1ccc(C(=O)Nc2ncc(C)s2)cc1N.
What is the InChIKey of 3-amino-4-ethoxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide?
The InChIKey is ARWCRYMOXQVHGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-3-18-11-5-4-9(6-10(11)14)12(17)16-13-15-7-8(2)19-13/h4-7H,3,14H2,1-2H3,(H,15,16,17).
What are the key properties of 3-amino-4-ethoxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide?
3-amino-4-ethoxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide has a molecular weight of 277.35 g/mol, XLogP of 2.68, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-ethoxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 61090016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).