2-N-[3-(trifluoromethyl)phenyl]-1,3,4-thiadiazole-2,5-diamine

C9H7F3N4S — CID 56696283

IUPAC2-N-[3-(trifluoromethyl)phenyl]-1,3,4-thiadiazole-2,5-diamine
SMILESNc1nnc(Nc2cccc(C(F)(F)F)c2)s1
InChIInChI=1S/C9H7F3N4S/c10-9(11,12)5-2-1-3-6(4-5)14-8-16-15-7(13)17-8/h1-4H,(H2,13,15)(H,14,16)
InChIKeyOSBFMTHEZMSTNG-UHFFFAOYSA-N
MW260.24 g/mol
LogP2.88
Rot. Bonds2

About 2-N-[3-(trifluoromethyl)phenyl]-1,3,4-thiadiazole-2,5-diamine

2-N-[3-(trifluoromethyl)phenyl]-1,3,4-thiadiazole-2,5-diamine (PubChem CID 56696283) has the molecular formula C9H7F3N4S and a molecular weight of 260.24 g/mol. Its IUPAC name is 2-N-[3-(trifluoromethyl)phenyl]-1,3,4-thiadiazole-2,5-diamine.

Molecular Properties

Compound Name2-N-[3-(trifluoromethyl)phenyl]-1,3,4-thiadiazole-2,5-diamine
PubChem CID56696283
Molecular FormulaC9H7F3N4S
Molecular Weight260.24 g/mol
Exact Mass260.03
IUPAC Name2-N-[3-(trifluoromethyl)phenyl]-1,3,4-thiadiazole-2,5-diamine
SMILESNc1nnc(Nc2cccc(C(F)(F)F)c2)s1
InChIInChI=1S/C9H7F3N4S/c10-9(11,12)5-2-1-3-6(4-5)14-8-16-15-7(13)17-8/h1-4H,(H2,13,15)(H,14,16)
InChIKeyOSBFMTHEZMSTNG-UHFFFAOYSA-N
XLogP2.88
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.24
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-fluorophenyl)-1,2,3,4-thiatriazol-5-amine
CID 718655
5-ethylsulfanyl-N-(4-methylphenyl)-1,3,4-thiadiazol-2-amine
CID 2468617
N-phenyl-5-phenyldiazenyl-1,3,4-thiadiazol-2-amine
CID 135971353
N5-(4-isopropylphenyl)-1,2,3,4-thiatriazol-5-amine
CID 2826651
N-(4-methylphenyl)-1,2,3,4-thiatriazol-5-amine
CID 738490
N-(3,4-dimethylphenyl)-1,2,3,4-thiatriazol-5-amine
CID 963037
3-{5-[Ethyl(phenyl)amino]-1,3,4-thiadiazol-2-YL}-1-[3-(trifluoromethyl)phenyl]urea
CID 16016839
N-(2-methylphenyl)-5-propylsulfanyl-1,3,4-thiadiazol-2-amine
CID 2114326
N-(2-methylphenyl)-5-methylsulfanyl-1,3,4-thiadiazol-2-amine
CID 2392034
3-{5-[Bis(2-methylpropyl)amino]-1,3,4-thiadiazol-2-YL}-1-[3-(trifluoromethyl)phenyl]urea
CID 16016781
3-[5-(Azepan-1-YL)-1,3,4-thiadiazol-2-YL]-1-[3-(trifluoromethyl)phenyl]urea
CID 16016849
2-[[5-[[3-(Trifluoromethyl)phenyl]carbamothioylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid
CID 127031428

Frequently Asked Questions

What is the IUPAC name of 2-N-[3-(trifluoromethyl)phenyl]-1,3,4-thiadiazole-2,5-diamine?
The IUPAC name of 2-N-[3-(trifluoromethyl)phenyl]-1,3,4-thiadiazole-2,5-diamine (CID 56696283) is 2-N-[3-(trifluoromethyl)phenyl]-1,3,4-thiadiazole-2,5-diamine.
What is the SMILES notation for 2-N-[3-(trifluoromethyl)phenyl]-1,3,4-thiadiazole-2,5-diamine?
The canonical SMILES for 2-N-[3-(trifluoromethyl)phenyl]-1,3,4-thiadiazole-2,5-diamine is Nc1nnc(Nc2cccc(C(F)(F)F)c2)s1.
What is the InChIKey of 2-N-[3-(trifluoromethyl)phenyl]-1,3,4-thiadiazole-2,5-diamine?
The InChIKey is OSBFMTHEZMSTNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3N4S/c10-9(11,12)5-2-1-3-6(4-5)14-8-16-15-7(13)17-8/h1-4H,(H2,13,15)(H,14,16).
What are the key properties of 2-N-[3-(trifluoromethyl)phenyl]-1,3,4-thiadiazole-2,5-diamine?
2-N-[3-(trifluoromethyl)phenyl]-1,3,4-thiadiazole-2,5-diamine has a molecular weight of 260.24 g/mol, XLogP of 2.88, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[3-(trifluoromethyl)phenyl]-1,3,4-thiadiazole-2,5-diamine is sourced from PubChem (CID 56696283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).