4-(dimethylamino)-2-fluoro-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]benzamide

C14H13F4N3OS — CID 122157606

IUPAC4-(dimethylamino)-2-fluoro-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]benzamide
SMILESCN(C)c1ccc(C(=O)NCc2nc(C(F)(F)F)cs2)c(F)c1
InChIInChI=1S/C14H13F4N3OS/c1-21(2)8-3-4-9(10(15)5-8)13(22)19-6-12-20-11(7-23-12)14(16,17)18/h3-5,7H,6H2,1-2H3,(H,19,22)
InChIKeyXYGTZNRPXDFMSD-UHFFFAOYSA-N
MW347.34 g/mol
LogP3.30
Rot. Bonds4

About 4-(dimethylamino)-2-fluoro-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]benzamide

4-(dimethylamino)-2-fluoro-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]benzamide (PubChem CID 122157606) has the molecular formula C14H13F4N3OS and a molecular weight of 347.34 g/mol. Its IUPAC name is 4-(dimethylamino)-2-fluoro-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]benzamide.

Molecular Properties

Compound Name4-(dimethylamino)-2-fluoro-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]benzamide
PubChem CID122157606
Molecular FormulaC14H13F4N3OS
Molecular Weight347.34 g/mol
Exact Mass347.07
IUPAC Name4-(dimethylamino)-2-fluoro-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]benzamide
SMILESCN(C)c1ccc(C(=O)NCc2nc(C(F)(F)F)cs2)c(F)c1
InChIInChI=1S/C14H13F4N3OS/c1-21(2)8-3-4-9(10(15)5-8)13(22)19-6-12-20-11(7-23-12)14(16,17)18/h3-5,7H,6H2,1-2H3,(H,19,22)
InChIKeyXYGTZNRPXDFMSD-UHFFFAOYSA-N
XLogP3.30
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.34
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-difluoro-5-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]benzamide
CID 122145800
1-[[4-(dimethylamino)phenyl]methyl]-2-methyl-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]guanidine
CID 111617870
2-methylsulfanyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyridine-4-carboxamide
CID 122142093
2-methyl-3-oxo-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methylamino]propanoic acid
CID 122065646
2-(2-aminoethyl)-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-1,3-thiazole-4-carboxamide
CID 120634282
2-[[3-(dimethylamino)phenyl]methyl]-1-ethyl-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]guanidine
CID 111616010
2-ethyl-5-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methylcarbamoyl]furan-3-carboxylic acid
CID 120821934
1-(5-fluoro-2-pyridinyl)-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]urea
CID 86800062
N,N-dimethyl-4-[[[N'-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]carbamimidoyl]amino]methyl]benzamide
CID 111616692
4-(dimethylamino)-2-fluoro-N,N-dimethylbenzamide
CID 126768746
2-amino-2-(4-methylphenyl)-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]acetamide
CID 120668636
4-bromo-2-fluoro-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide
CID 78863689

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-2-fluoro-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]benzamide?
The IUPAC name of 4-(dimethylamino)-2-fluoro-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]benzamide (CID 122157606) is 4-(dimethylamino)-2-fluoro-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]benzamide.
What is the SMILES notation for 4-(dimethylamino)-2-fluoro-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]benzamide?
The canonical SMILES for 4-(dimethylamino)-2-fluoro-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]benzamide is CN(C)c1ccc(C(=O)NCc2nc(C(F)(F)F)cs2)c(F)c1.
What is the InChIKey of 4-(dimethylamino)-2-fluoro-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]benzamide?
The InChIKey is XYGTZNRPXDFMSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F4N3OS/c1-21(2)8-3-4-9(10(15)5-8)13(22)19-6-12-20-11(7-23-12)14(16,17)18/h3-5,7H,6H2,1-2H3,(H,19,22).
What are the key properties of 4-(dimethylamino)-2-fluoro-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]benzamide?
4-(dimethylamino)-2-fluoro-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]benzamide has a molecular weight of 347.34 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-2-fluoro-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]benzamide is sourced from PubChem (CID 122157606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).