N-(thiadiazol-4-ylmethyl)-4-(trifluoromethyl)aniline

C10H8F3N3S — CID 43663864

IUPACN-(thiadiazol-4-ylmethyl)-4-(trifluoromethyl)aniline
SMILESFC(F)(F)c1ccc(NCc2csnn2)cc1
InChIInChI=1S/C10H8F3N3S/c11-10(12,13)7-1-3-8(4-2-7)14-5-9-6-17-16-15-9/h1-4,6,14H,5H2
InChIKeyZMSOJGBVRUJKSV-UHFFFAOYSA-N
MW259.26 g/mol
LogP3.17
Rot. Bonds3

About N-(thiadiazol-4-ylmethyl)-4-(trifluoromethyl)aniline

N-(thiadiazol-4-ylmethyl)-4-(trifluoromethyl)aniline (PubChem CID 43663864) has the molecular formula C10H8F3N3S and a molecular weight of 259.26 g/mol. Its IUPAC name is N-(thiadiazol-4-ylmethyl)-4-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-(thiadiazol-4-ylmethyl)-4-(trifluoromethyl)aniline
PubChem CID43663864
Molecular FormulaC10H8F3N3S
Molecular Weight259.26 g/mol
Exact Mass259.04
IUPAC NameN-(thiadiazol-4-ylmethyl)-4-(trifluoromethyl)aniline
SMILESFC(F)(F)c1ccc(NCc2csnn2)cc1
InChIInChI=1S/C10H8F3N3S/c11-10(12,13)7-1-3-8(4-2-7)14-5-9-6-17-16-15-9/h1-4,6,14H,5H2
InChIKeyZMSOJGBVRUJKSV-UHFFFAOYSA-N
XLogP3.17
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-chloro-1,2,3-thiadiazol-4-yl)methyl]-4-(trifluoromethyl)aniline
CID 1483132
N'-methyl-N'-phenyl-N-(thiadiazol-4-ylmethyl)propane-1,3-diamine
CID 43663847
4-(difluoromethyl)-N-[4-(trifluoromethyl)phenyl]thiadiazole-5-carbothioamide
CID 135153640
N-(4-tert-butylphenyl)-4-(difluoromethyl)thiadiazole-5-carbothioamide
CID 135155051
4-(difluoromethyl)-N-(4-methylphenyl)thiadiazole-5-carbothioamide
CID 135171647
N-(4,4-difluorobut-3-enyl)-5-phenylthiadiazole-4-carbothioamide
CID 139818235
4-(difluoromethyl)-N-[2-fluoro-4-(trifluoromethyl)phenyl]thiadiazole-5-carbothioamide
CID 142383475
4-fluoro-N-methyl-2-(thiadiazol-4-yl)aniline
CID 174509471
5-methyl-N-(4-methylphenyl)-1,2,3-thiadiazole-4-carbothioamide
CID 129743671
1-[5-(4-Methylphenylamino)-1,2,3-thiadiazol-4-yl]ethanethione
CID 129743724
N-[4-(trifluoromethyl)phenyl]-1,2,3-thiadiazole-4-carboxamide
CID 1475489
2-chloro-N-(thiadiazol-4-ylmethyl)-5-(trifluoromethyl)aniline
CID 43663805

Frequently Asked Questions

What is the IUPAC name of N-(thiadiazol-4-ylmethyl)-4-(trifluoromethyl)aniline?
The IUPAC name of N-(thiadiazol-4-ylmethyl)-4-(trifluoromethyl)aniline (CID 43663864) is N-(thiadiazol-4-ylmethyl)-4-(trifluoromethyl)aniline.
What is the SMILES notation for N-(thiadiazol-4-ylmethyl)-4-(trifluoromethyl)aniline?
The canonical SMILES for N-(thiadiazol-4-ylmethyl)-4-(trifluoromethyl)aniline is FC(F)(F)c1ccc(NCc2csnn2)cc1.
What is the InChIKey of N-(thiadiazol-4-ylmethyl)-4-(trifluoromethyl)aniline?
The InChIKey is ZMSOJGBVRUJKSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N3S/c11-10(12,13)7-1-3-8(4-2-7)14-5-9-6-17-16-15-9/h1-4,6,14H,5H2.
What are the key properties of N-(thiadiazol-4-ylmethyl)-4-(trifluoromethyl)aniline?
N-(thiadiazol-4-ylmethyl)-4-(trifluoromethyl)aniline has a molecular weight of 259.26 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thiadiazol-4-ylmethyl)-4-(trifluoromethyl)aniline is sourced from PubChem (CID 43663864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).