2-amino-N-(thiatriazol-5-yl)-5-(trifluoromethyl)benzamide

C9H6F3N5OS — CID 114914384

IUPAC2-amino-N-(thiatriazol-5-yl)-5-(trifluoromethyl)benzamide
SMILESNc1ccc(C(F)(F)F)cc1C(=O)Nc1nnns1
InChIInChI=1S/C9H6F3N5OS/c10-9(11,12)4-1-2-6(13)5(3-4)7(18)14-8-15-16-17-19-8/h1-3H,13H2,(H,14,15,17,18)
InChIKeyALXLURHARHHHLS-UHFFFAOYSA-N
MW289.24 g/mol
LogP1.79
Rot. Bonds2

About 2-amino-N-(thiatriazol-5-yl)-5-(trifluoromethyl)benzamide

2-amino-N-(thiatriazol-5-yl)-5-(trifluoromethyl)benzamide (PubChem CID 114914384) has the molecular formula C9H6F3N5OS and a molecular weight of 289.24 g/mol. Its IUPAC name is 2-amino-N-(thiatriazol-5-yl)-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-amino-N-(thiatriazol-5-yl)-5-(trifluoromethyl)benzamide
PubChem CID114914384
Molecular FormulaC9H6F3N5OS
Molecular Weight289.24 g/mol
Exact Mass289.02
IUPAC Name2-amino-N-(thiatriazol-5-yl)-5-(trifluoromethyl)benzamide
SMILESNc1ccc(C(F)(F)F)cc1C(=O)Nc1nnns1
InChIInChI=1S/C9H6F3N5OS/c10-9(11,12)4-1-2-6(13)5(3-4)7(18)14-8-15-16-17-19-8/h1-3H,13H2,(H,14,15,17,18)
InChIKeyALXLURHARHHHLS-UHFFFAOYSA-N
XLogP1.79
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.24
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-(thiatriazol-5-yl)pyridine-3-carboxamide
CID 114914399
4-bromo-N-(thiatriazol-5-yl)-3-(trifluoromethyl)benzamide
CID 114912769
2-bromo-4-fluoro-N-(thiatriazol-5-yl)benzamide
CID 114912800
2-amino-N-(2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)benzamide
CID 70098587
4-chloro-N-(thiatriazol-5-yl)pyridine-3-carboxamide
CID 114912098
4-bromo-N-(thiatriazol-5-yl)-1H-pyrrole-2-carboxamide
CID 114912775
2-amino-N-(2-ethylbutyl)-5-(trifluoromethyl)benzamide
CID 115738184
2-bromo-N-(6-chloropyridazin-3-yl)-5-(trifluoromethyl)benzamide
CID 115744112
2-fluoro-N-(thiatriazol-5-yl)pyridine-4-carboxamide
CID 114912096
3-amino-4-ethoxy-N-(thiatriazol-5-yl)benzamide
CID 114911608
2-amino-N-(1-pyridin-2-ylpyrazol-4-yl)-5-(trifluoromethyl)benzamide
CID 118427664
6-amino-3-chloro-N-(thiatriazol-5-yl)pyridine-2-carboxamide
CID 114914322

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(thiatriazol-5-yl)-5-(trifluoromethyl)benzamide?
The IUPAC name of 2-amino-N-(thiatriazol-5-yl)-5-(trifluoromethyl)benzamide (CID 114914384) is 2-amino-N-(thiatriazol-5-yl)-5-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-amino-N-(thiatriazol-5-yl)-5-(trifluoromethyl)benzamide?
The canonical SMILES for 2-amino-N-(thiatriazol-5-yl)-5-(trifluoromethyl)benzamide is Nc1ccc(C(F)(F)F)cc1C(=O)Nc1nnns1.
What is the InChIKey of 2-amino-N-(thiatriazol-5-yl)-5-(trifluoromethyl)benzamide?
The InChIKey is ALXLURHARHHHLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F3N5OS/c10-9(11,12)4-1-2-6(13)5(3-4)7(18)14-8-15-16-17-19-8/h1-3H,13H2,(H,14,15,17,18).
What are the key properties of 2-amino-N-(thiatriazol-5-yl)-5-(trifluoromethyl)benzamide?
2-amino-N-(thiatriazol-5-yl)-5-(trifluoromethyl)benzamide has a molecular weight of 289.24 g/mol, XLogP of 1.79, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(thiatriazol-5-yl)-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 114914384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).