4-fluoro-2-methyl-5-(2-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-N-(2,2,2-trifluoroethyl)benzamide

C14H14F4N4OS — CID 153404383

IUPAC4-fluoro-2-methyl-5-(2-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-N-(2,2,2-trifluoroethyl)benzamide
SMILESCSc1nc(-c2cc(C(=O)NCC(F)(F)F)c(C)cc2F)n(C)n1
InChIInChI=1S/C14H14F4N4OS/c1-7-4-10(15)9(11-20-13(24-3)21-22(11)2)5-8(7)12(23)19-6-14(16,17)18/h4-5H,6H2,1-3H3,(H,19,23)
InChIKeyFGYHCIDWCOPMIN-UHFFFAOYSA-N
MW362.35 g/mol
LogP2.94
Rot. Bonds4

About 4-fluoro-2-methyl-5-(2-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-N-(2,2,2-trifluoroethyl)benzamide

4-fluoro-2-methyl-5-(2-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 153404383) has the molecular formula C14H14F4N4OS and a molecular weight of 362.35 g/mol. Its IUPAC name is 4-fluoro-2-methyl-5-(2-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name4-fluoro-2-methyl-5-(2-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID153404383
Molecular FormulaC14H14F4N4OS
Molecular Weight362.35 g/mol
Exact Mass362.08
IUPAC Name4-fluoro-2-methyl-5-(2-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-N-(2,2,2-trifluoroethyl)benzamide
SMILESCSc1nc(-c2cc(C(=O)NCC(F)(F)F)c(C)cc2F)n(C)n1
InChIInChI=1S/C14H14F4N4OS/c1-7-4-10(15)9(11-20-13(24-3)21-22(11)2)5-8(7)12(23)19-6-14(16,17)18/h4-5H,6H2,1-3H3,(H,19,23)
InChIKeyFGYHCIDWCOPMIN-UHFFFAOYSA-N
XLogP2.94
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.35
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-fluoro-2-methyl-5-(2-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-N-(2,2,2-trifluoroethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-fluoro-2-methyl-5-[2-methyl-5-(phenylmethoxymethyl)-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide
CID 153404397
5-(3-amino-5-methylpyrazol-1-yl)-4-fluoro-2-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 157022662
1-[2-fluoro-4-methyl-5-(2,2,2-trifluoroethylcarbamoyl)phenyl]-5-methylpyrazole-3-carboxylic acid
CID 157022652
4-fluoro-2-methyl-5-(5-methyl-3-methylsulfinylpyrazol-1-yl)-N-(2,2,2-trifluoroethyl)benzamide
CID 157022648
2,4-dimethyl-N-(2,2,2-trifluoroethyl)benzamide
CID 78785997
2-fluoro-5-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 62510396
2-chloro-5-methylsulfanyl-N-(2,2,2-trifluoroethyl)benzamide
CID 78780256
2,5-dimethyl-N-[2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)phenyl]pyrazole-3-carboxamide
CID 87025355
4-methylsulfanyl-N-(2,2,2-trifluoroethyl)benzamide
CID 78791752
2-fluoro-5-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide
CID 60638089
2-fluoro-N-(2,2,2-trifluoroethyl)benzamide
CID 51072699
2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)benzenesulfonyl chloride
CID 43523684

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methyl-5-(2-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 4-fluoro-2-methyl-5-(2-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-N-(2,2,2-trifluoroethyl)benzamide (CID 153404383) is 4-fluoro-2-methyl-5-(2-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 4-fluoro-2-methyl-5-(2-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 4-fluoro-2-methyl-5-(2-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-N-(2,2,2-trifluoroethyl)benzamide is CSc1nc(-c2cc(C(=O)NCC(F)(F)F)c(C)cc2F)n(C)n1.
What is the InChIKey of 4-fluoro-2-methyl-5-(2-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is FGYHCIDWCOPMIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F4N4OS/c1-7-4-10(15)9(11-20-13(24-3)21-22(11)2)5-8(7)12(23)19-6-14(16,17)18/h4-5H,6H2,1-3H3,(H,19,23).
What are the key properties of 4-fluoro-2-methyl-5-(2-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-N-(2,2,2-trifluoroethyl)benzamide?
4-fluoro-2-methyl-5-(2-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 362.35 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methyl-5-(2-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 153404383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).