2-amino-6-ethoxy-N-(1,3-thiazol-4-ylmethyl)benzamide

C13H15N3O2S — CID 81420120

IUPAC2-amino-6-ethoxy-N-(1,3-thiazol-4-ylmethyl)benzamide
SMILESCCOc1cccc(N)c1C(=O)NCc1cscn1
InChIInChI=1S/C13H15N3O2S/c1-2-18-11-5-3-4-10(14)12(11)13(17)15-6-9-7-19-8-16-9/h3-5,7-8H,2,6,14H2,1H3,(H,15,17)
InChIKeyNTLLFKAECADJLH-UHFFFAOYSA-N
MW277.35 g/mol
LogP2.05
Rot. Bonds5

About 2-amino-6-ethoxy-N-(1,3-thiazol-4-ylmethyl)benzamide

2-amino-6-ethoxy-N-(1,3-thiazol-4-ylmethyl)benzamide (PubChem CID 81420120) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is 2-amino-6-ethoxy-N-(1,3-thiazol-4-ylmethyl)benzamide.

Molecular Properties

Compound Name2-amino-6-ethoxy-N-(1,3-thiazol-4-ylmethyl)benzamide
PubChem CID81420120
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC Name2-amino-6-ethoxy-N-(1,3-thiazol-4-ylmethyl)benzamide
SMILESCCOc1cccc(N)c1C(=O)NCc1cscn1
InChIInChI=1S/C13H15N3O2S/c1-2-18-11-5-3-4-10(14)12(11)13(17)15-6-9-7-19-8-16-9/h3-5,7-8H,2,6,14H2,1H3,(H,15,17)
InChIKeyNTLLFKAECADJLH-UHFFFAOYSA-N
XLogP2.05
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 52.05
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

2-amino-6-chloro-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 63830369
2-amino-N-(2,2-dimethylpropyl)-6-ethoxybenzamide
CID 81420510
methyl 2-[(2-amino-6-ethoxybenzoyl)amino]acetate
CID 81410265
2-amino-6-ethoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide
CID 81420789
2-ethoxy-N-[2-oxo-2-(1,3-thiazol-4-ylmethylamino)ethyl]benzamide
CID 46388441
2-amino-6-ethoxy-N-(2-methylbutyl)benzamide
CID 81420937
2-amino-N-(5-amino-5-oxopentyl)-6-ethoxybenzamide
CID 106233209
2-amino-6-ethoxy-N-(3-hydroxy-2-methylpropyl)benzamide
CID 81420128
2-amino-6-ethoxy-N-(3-ethylpentan-3-yl)benzamide
CID 81420265
2-methoxy-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 49346216
2-amino-6-ethoxy-N-(1,3-thiazol-2-yl)benzamide
CID 81409659
3-amino-4-methoxy-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 63830367

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-ethoxy-N-(1,3-thiazol-4-ylmethyl)benzamide?
The IUPAC name of 2-amino-6-ethoxy-N-(1,3-thiazol-4-ylmethyl)benzamide (CID 81420120) is 2-amino-6-ethoxy-N-(1,3-thiazol-4-ylmethyl)benzamide.
What is the SMILES notation for 2-amino-6-ethoxy-N-(1,3-thiazol-4-ylmethyl)benzamide?
The canonical SMILES for 2-amino-6-ethoxy-N-(1,3-thiazol-4-ylmethyl)benzamide is CCOc1cccc(N)c1C(=O)NCc1cscn1.
What is the InChIKey of 2-amino-6-ethoxy-N-(1,3-thiazol-4-ylmethyl)benzamide?
The InChIKey is NTLLFKAECADJLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-2-18-11-5-3-4-10(14)12(11)13(17)15-6-9-7-19-8-16-9/h3-5,7-8H,2,6,14H2,1H3,(H,15,17).
What are the key properties of 2-amino-6-ethoxy-N-(1,3-thiazol-4-ylmethyl)benzamide?
2-amino-6-ethoxy-N-(1,3-thiazol-4-ylmethyl)benzamide has a molecular weight of 277.35 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-ethoxy-N-(1,3-thiazol-4-ylmethyl)benzamide is sourced from PubChem (CID 81420120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).