3-amino-4-ethoxy-N-(thiatriazol-5-yl)benzamide

C10H11N5O2S — CID 114911608

IUPAC3-amino-4-ethoxy-N-(thiatriazol-5-yl)benzamide
SMILESCCOc1ccc(C(=O)Nc2nnns2)cc1N
InChIInChI=1S/C10H11N5O2S/c1-2-17-8-4-3-6(5-7(8)11)9(16)12-10-13-14-15-18-10/h3-5H,2,11H2,1H3,(H,12,13,15,16)
InChIKeyDFTUZJIXYCOIOU-UHFFFAOYSA-N
MW265.30 g/mol
LogP1.17
Rot. Bonds4

About 3-amino-4-ethoxy-N-(thiatriazol-5-yl)benzamide

3-amino-4-ethoxy-N-(thiatriazol-5-yl)benzamide (PubChem CID 114911608) has the molecular formula C10H11N5O2S and a molecular weight of 265.30 g/mol. Its IUPAC name is 3-amino-4-ethoxy-N-(thiatriazol-5-yl)benzamide.

Molecular Properties

Compound Name3-amino-4-ethoxy-N-(thiatriazol-5-yl)benzamide
PubChem CID114911608
Molecular FormulaC10H11N5O2S
Molecular Weight265.30 g/mol
Exact Mass265.06
IUPAC Name3-amino-4-ethoxy-N-(thiatriazol-5-yl)benzamide
SMILESCCOc1ccc(C(=O)Nc2nnns2)cc1N
InChIInChI=1S/C10H11N5O2S/c1-2-17-8-4-3-6(5-7(8)11)9(16)12-10-13-14-15-18-10/h3-5H,2,11H2,1H3,(H,12,13,15,16)
InChIKeyDFTUZJIXYCOIOU-UHFFFAOYSA-N
XLogP1.17
TPSA103.02 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.30
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-ethoxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 61090016
3-amino-4-ethoxy-N-pyrimidin-2-ylbenzamide
CID 61093521
3-amino-4-ethoxy-N-(1,2,4-triazin-3-yl)benzamide
CID 114386749
3-amino-4-ethoxy-N-(5-ethyl-1H-pyrazol-3-yl)benzamide
CID 104616103
4-propoxy-N-(thiatriazol-5-yl)benzamide
CID 19114284
3-amino-4-ethoxy-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
CID 104616291
2-(aminomethyl)-N-(thiatriazol-5-yl)pyridine-4-carboxamide
CID 114912577
4-pentoxy-N-(thiatriazol-5-yl)benzamide
CID 19114286
3-amino-4-ethoxy-N-(2-hydroxyethyl)benzamide
CID 61093968
3-amino-N-(2,5-dibromophenyl)-4-ethoxybenzamide
CID 61466319
3-amino-N-(4-bromo-2-methylphenyl)-4-ethoxybenzamide
CID 61091755
ethyl 2-[(3-amino-4-ethoxybenzoyl)amino]propanoate
CID 61498178

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-ethoxy-N-(thiatriazol-5-yl)benzamide?
The IUPAC name of 3-amino-4-ethoxy-N-(thiatriazol-5-yl)benzamide (CID 114911608) is 3-amino-4-ethoxy-N-(thiatriazol-5-yl)benzamide.
What is the SMILES notation for 3-amino-4-ethoxy-N-(thiatriazol-5-yl)benzamide?
The canonical SMILES for 3-amino-4-ethoxy-N-(thiatriazol-5-yl)benzamide is CCOc1ccc(C(=O)Nc2nnns2)cc1N.
What is the InChIKey of 3-amino-4-ethoxy-N-(thiatriazol-5-yl)benzamide?
The InChIKey is DFTUZJIXYCOIOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O2S/c1-2-17-8-4-3-6(5-7(8)11)9(16)12-10-13-14-15-18-10/h3-5H,2,11H2,1H3,(H,12,13,15,16).
What are the key properties of 3-amino-4-ethoxy-N-(thiatriazol-5-yl)benzamide?
3-amino-4-ethoxy-N-(thiatriazol-5-yl)benzamide has a molecular weight of 265.30 g/mol, XLogP of 1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-ethoxy-N-(thiatriazol-5-yl)benzamide is sourced from PubChem (CID 114911608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).