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

C12H10F3N3OS — CID 62160253

IUPAC4-amino-N-(1,3-thiazol-2-ylmethyl)-3-(trifluoromethyl)benzamide
SMILESNc1ccc(C(=O)NCc2nccs2)cc1C(F)(F)F
InChIInChI=1S/C12H10F3N3OS/c13-12(14,15)8-5-7(1-2-9(8)16)11(19)18-6-10-17-3-4-20-10/h1-5H,6,16H2,(H,18,19)
InChIKeyUCJMMHOZZJHXCZ-UHFFFAOYSA-N
MW301.29 g/mol
LogP2.67
Rot. Bonds3

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

4-amino-N-(1,3-thiazol-2-ylmethyl)-3-(trifluoromethyl)benzamide (PubChem CID 62160253) has the molecular formula C12H10F3N3OS and a molecular weight of 301.29 g/mol. Its IUPAC name is 4-amino-N-(1,3-thiazol-2-ylmethyl)-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name4-amino-N-(1,3-thiazol-2-ylmethyl)-3-(trifluoromethyl)benzamide
PubChem CID62160253
Molecular FormulaC12H10F3N3OS
Molecular Weight301.29 g/mol
Exact Mass301.05
IUPAC Name4-amino-N-(1,3-thiazol-2-ylmethyl)-3-(trifluoromethyl)benzamide
SMILESNc1ccc(C(=O)NCc2nccs2)cc1C(F)(F)F
InChIInChI=1S/C12H10F3N3OS/c13-12(14,15)8-5-7(1-2-9(8)16)11(19)18-6-10-17-3-4-20-10/h1-5H,6,16H2,(H,18,19)
InChIKeyUCJMMHOZZJHXCZ-UHFFFAOYSA-N
XLogP2.67
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.29
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-(thiophen-3-ylmethyl)-3-(trifluoromethyl)benzamide
CID 63247780
4-(1,3-thiazol-2-ylmethylcarbamoyl)benzoic acid
CID 54962478
4-amino-N-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)benzamide
CID 62153422
4-bromo-3-hydroxy-N-(1,3-thiazol-2-ylmethyl)benzamide
CID 103872542
4-bromo-N-(1,3-thiazol-2-ylmethyl)benzamide
CID 60773800
6-fluoro-N-(1,3-thiazol-2-ylmethyl)pyridine-3-carboxamide
CID 63978404
N-(1,3-thiazol-2-ylmethyl)isoquinoline-6-carboxamide
CID 110485103
4-amino-N-methyl-3-(trifluoromethyl)benzamide
CID 62156394
2-amino-4-bromo-N-(1,3-thiazol-2-ylmethyl)benzamide
CID 79723692
3-nitro-N-(1,3-thiazol-2-ylmethyl)benzamide
CID 110463662
3-(2-hydroxypropan-2-yl)-N-(1,3-thiazol-2-ylmethyl)benzamide
CID 110486058
4-bromo-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-(trifluoromethyl)benzamide
CID 81448940

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1,3-thiazol-2-ylmethyl)-3-(trifluoromethyl)benzamide?
The IUPAC name of 4-amino-N-(1,3-thiazol-2-ylmethyl)-3-(trifluoromethyl)benzamide (CID 62160253) is 4-amino-N-(1,3-thiazol-2-ylmethyl)-3-(trifluoromethyl)benzamide.
What is the SMILES notation for 4-amino-N-(1,3-thiazol-2-ylmethyl)-3-(trifluoromethyl)benzamide?
The canonical SMILES for 4-amino-N-(1,3-thiazol-2-ylmethyl)-3-(trifluoromethyl)benzamide is Nc1ccc(C(=O)NCc2nccs2)cc1C(F)(F)F.
What is the InChIKey of 4-amino-N-(1,3-thiazol-2-ylmethyl)-3-(trifluoromethyl)benzamide?
The InChIKey is UCJMMHOZZJHXCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3OS/c13-12(14,15)8-5-7(1-2-9(8)16)11(19)18-6-10-17-3-4-20-10/h1-5H,6,16H2,(H,18,19).
What are the key properties of 4-amino-N-(1,3-thiazol-2-ylmethyl)-3-(trifluoromethyl)benzamide?
4-amino-N-(1,3-thiazol-2-ylmethyl)-3-(trifluoromethyl)benzamide has a molecular weight of 301.29 g/mol, XLogP of 2.67, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1,3-thiazol-2-ylmethyl)-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 62160253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).