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

C9H6F3N3S — CID 141210332

IUPACN-[3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-amine
SMILESFC(F)(F)c1cccc(Nc2nncs2)c1
InChIInChI=1S/C9H6F3N3S/c10-9(11,12)6-2-1-3-7(4-6)14-8-15-13-5-16-8/h1-5H,(H,14,15)
InChIKeyWEWRRIATQLXNFI-UHFFFAOYSA-N
MW245.23 g/mol
LogP3.30
Rot. Bonds2

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

N-[3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-amine (PubChem CID 141210332) has the molecular formula C9H6F3N3S and a molecular weight of 245.23 g/mol. Its IUPAC name is N-[3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-[3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-amine
PubChem CID141210332
Molecular FormulaC9H6F3N3S
Molecular Weight245.23 g/mol
Exact Mass245.02
IUPAC NameN-[3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-amine
SMILESFC(F)(F)c1cccc(Nc2nncs2)c1
InChIInChI=1S/C9H6F3N3S/c10-9(11,12)6-2-1-3-7(4-6)14-8-15-13-5-16-8/h1-5H,(H,14,15)
InChIKeyWEWRRIATQLXNFI-UHFFFAOYSA-N
XLogP3.30
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.23
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-phenyl-1,3,4-thiadiazol-2-amine
CID 767363
1-Phenyl-3-(1,3,4-thiadiazol-2-yl)thiourea
CID 870537
5-ethylsulfanyl-N-(4-methylphenyl)-1,3,4-thiadiazol-2-amine
CID 2468617
N-(2-methylphenyl)-5-methylsulfanyl-1,3,4-thiadiazol-2-amine
CID 2392034
N-[3,5-bis(trifluoromethyl)phenyl]-5-phenyldiazenyl-1,3,4-thiadiazol-2-amine
CID 2731529
3-[5-(Pyrrolidin-1-YL)-1,3,4-thiadiazol-2-YL]-1-[3-(trifluoromethyl)phenyl]urea
CID 22510501
N~2~-[3-(trifluoromethyl)phenyl]-1,3,4-thiadiazole-2,5-diamine
CID 56696283
2-(4-Trifluoromethylphenylamino)-5-(i-butyldisulfanyl)-1,3,4-thiadiazole
CID 164576228
2-(4-Trifluoromethylphenylamino)-5-(n-butyldisulfanyl)-1,3,4-thiadiazole
CID 164576229
2-[[5-(3-Methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetonitrile
CID 2390094
N-(4-methylphenyl)-1,3,4-thiadiazol-2-amine
CID 91458622
2-(3-Methylphenylamino)-5-(i-butyldisulfanyl)-1,3,4-thiadiazole
CID 141480185

Frequently Asked Questions

What is the IUPAC name of N-[3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-[3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-amine (CID 141210332) is N-[3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-[3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-[3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-amine is FC(F)(F)c1cccc(Nc2nncs2)c1.
What is the InChIKey of N-[3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is WEWRRIATQLXNFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F3N3S/c10-9(11,12)6-2-1-3-7(4-6)14-8-15-13-5-16-8/h1-5H,(H,14,15).
What are the key properties of N-[3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-amine?
N-[3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 245.23 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 141210332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).