N-phenyl-5-[4-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-amine

C15H10F3N3S — CID 156770991

IUPACN-phenyl-5-[4-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-amine
SMILESFC(F)(F)c1ccc(-c2nnc(Nc3ccccc3)s2)cc1
InChIInChI=1S/C15H10F3N3S/c16-15(17,18)11-8-6-10(7-9-11)13-20-21-14(22-13)19-12-4-2-1-3-5-12/h1-9H,(H,19,21)
InChIKeyVPXGRSFZEBMZJH-UHFFFAOYSA-N
MW321.33 g/mol
LogP4.97
Rot. Bonds3

About N-phenyl-5-[4-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-amine

N-phenyl-5-[4-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-amine (PubChem CID 156770991) has the molecular formula C15H10F3N3S and a molecular weight of 321.33 g/mol. Its IUPAC name is N-phenyl-5-[4-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-phenyl-5-[4-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-amine
PubChem CID156770991
Molecular FormulaC15H10F3N3S
Molecular Weight321.33 g/mol
Exact Mass321.05
IUPAC NameN-phenyl-5-[4-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-amine
SMILESFC(F)(F)c1ccc(-c2nnc(Nc3ccccc3)s2)cc1
InChIInChI=1S/C15H10F3N3S/c16-15(17,18)11-8-6-10(7-9-11)13-20-21-14(22-13)19-12-4-2-1-3-5-12/h1-9H,(H,19,21)
InChIKeyVPXGRSFZEBMZJH-UHFFFAOYSA-N
XLogP4.97
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.33
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-Phenyl-3-(5-phenyl-1,3,4-thiadiazol-2-yl)urea
CID 794903
1-[5-[(4-Fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-phenylurea
CID 940392
N,5-diphenyl-1,3,4-thiadiazol-2-amine
CID 5270835
1-[5-(4-Fluorobenzyl)-1,3,4-thiadiazol-2-yl]-3-(2-fluorophenyl)urea
CID 881236
1-[5-(2-Fluorobenzyl)-1,3,4-thiadiazol-2-yl]-3-(2-fluorophenyl)urea
CID 948749
1-[5-(2-Fluorophenyl)-1,3,4-thiadiazol-2-yl]-3-(4-methylphenyl)urea
CID 948803
5-[2-[(3-Trifluoromethylphenyl)amino]phenyl]-1,3,4-thiadiazol-2-amine
CID 14951359
1-[5-(2-Fluoro-benzyl)-[1,3,4]thiadiazol-2-yl]-3-phenyl-urea
CID 784938
1-(5-Benzyl-1,3,4-thiadiazol-2-yl)-3-(2-fluorophenyl)urea
CID 881215
1-(2-Fluorophenyl)-3-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]urea
CID 881082
1-(2-Fluorophenyl)-3-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]urea
CID 1390940
5-(4-nitrophenyl)-N-phenyl-1,3,4-thiadiazol-2-amine
CID 5270830

Frequently Asked Questions

What is the IUPAC name of N-phenyl-5-[4-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-phenyl-5-[4-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-amine (CID 156770991) is N-phenyl-5-[4-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-phenyl-5-[4-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-phenyl-5-[4-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-amine is FC(F)(F)c1ccc(-c2nnc(Nc3ccccc3)s2)cc1.
What is the InChIKey of N-phenyl-5-[4-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is VPXGRSFZEBMZJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3N3S/c16-15(17,18)11-8-6-10(7-9-11)13-20-21-14(22-13)19-12-4-2-1-3-5-12/h1-9H,(H,19,21).
What are the key properties of N-phenyl-5-[4-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-amine?
N-phenyl-5-[4-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 321.33 g/mol, XLogP of 4.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-5-[4-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 156770991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).