4-amino-N-(1,3-thiazol-2-yl)-2-(trifluoromethoxy)benzamide

C11H8F3N3O2S — CID 142779502

IUPAC4-amino-N-(1,3-thiazol-2-yl)-2-(trifluoromethoxy)benzamide
SMILESNc1ccc(C(=O)Nc2nccs2)c(OC(F)(F)F)c1
InChIInChI=1S/C11H8F3N3O2S/c12-11(13,14)19-8-5-6(15)1-2-7(8)9(18)17-10-16-3-4-20-10/h1-5H,15H2,(H,16,17,18)
InChIKeyAXMJXPBMOYHGLJ-UHFFFAOYSA-N
MW303.27 g/mol
LogP2.88
Rot. Bonds3

About 4-amino-N-(1,3-thiazol-2-yl)-2-(trifluoromethoxy)benzamide

4-amino-N-(1,3-thiazol-2-yl)-2-(trifluoromethoxy)benzamide (PubChem CID 142779502) has the molecular formula C11H8F3N3O2S and a molecular weight of 303.27 g/mol. Its IUPAC name is 4-amino-N-(1,3-thiazol-2-yl)-2-(trifluoromethoxy)benzamide.

Molecular Properties

Compound Name4-amino-N-(1,3-thiazol-2-yl)-2-(trifluoromethoxy)benzamide
PubChem CID142779502
Molecular FormulaC11H8F3N3O2S
Molecular Weight303.27 g/mol
Exact Mass303.03
IUPAC Name4-amino-N-(1,3-thiazol-2-yl)-2-(trifluoromethoxy)benzamide
SMILESNc1ccc(C(=O)Nc2nccs2)c(OC(F)(F)F)c1
InChIInChI=1S/C11H8F3N3O2S/c12-11(13,14)19-8-5-6(15)1-2-7(8)9(18)17-10-16-3-4-20-10/h1-5H,15H2,(H,16,17,18)
InChIKeyAXMJXPBMOYHGLJ-UHFFFAOYSA-N
XLogP2.88
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.27
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1,3-thiazol-2-yl)-2-(trifluoromethoxy)benzamide?
The IUPAC name of 4-amino-N-(1,3-thiazol-2-yl)-2-(trifluoromethoxy)benzamide (CID 142779502) is 4-amino-N-(1,3-thiazol-2-yl)-2-(trifluoromethoxy)benzamide.
What is the SMILES notation for 4-amino-N-(1,3-thiazol-2-yl)-2-(trifluoromethoxy)benzamide?
The canonical SMILES for 4-amino-N-(1,3-thiazol-2-yl)-2-(trifluoromethoxy)benzamide is Nc1ccc(C(=O)Nc2nccs2)c(OC(F)(F)F)c1.
What is the InChIKey of 4-amino-N-(1,3-thiazol-2-yl)-2-(trifluoromethoxy)benzamide?
The InChIKey is AXMJXPBMOYHGLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3N3O2S/c12-11(13,14)19-8-5-6(15)1-2-7(8)9(18)17-10-16-3-4-20-10/h1-5H,15H2,(H,16,17,18).
What are the key properties of 4-amino-N-(1,3-thiazol-2-yl)-2-(trifluoromethoxy)benzamide?
4-amino-N-(1,3-thiazol-2-yl)-2-(trifluoromethoxy)benzamide has a molecular weight of 303.27 g/mol, XLogP of 2.88, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1,3-thiazol-2-yl)-2-(trifluoromethoxy)benzamide is sourced from PubChem (CID 142779502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).