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

C9H4BrF4N3S — CID 64622843

IUPAC5-bromo-N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-amine
SMILESFc1ccc(Nc2nnc(Br)s2)cc1C(F)(F)F
InChIInChI=1S/C9H4BrF4N3S/c10-7-16-17-8(18-7)15-4-1-2-6(11)5(3-4)9(12,13)14/h1-3H,(H,15,17)
InChIKeyNHPQGLSDIVGFAC-UHFFFAOYSA-N
MW342.12 g/mol
LogP4.20
Rot. Bonds2

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

5-bromo-N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-amine (PubChem CID 64622843) has the molecular formula C9H4BrF4N3S and a molecular weight of 342.12 g/mol. Its IUPAC name is 5-bromo-N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-bromo-N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-amine
PubChem CID64622843
Molecular FormulaC9H4BrF4N3S
Molecular Weight342.12 g/mol
Exact Mass340.92
IUPAC Name5-bromo-N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-amine
SMILESFc1ccc(Nc2nnc(Br)s2)cc1C(F)(F)F
InChIInChI=1S/C9H4BrF4N3S/c10-7-16-17-8(18-7)15-4-1-2-6(11)5(3-4)9(12,13)14/h1-3H,(H,15,17)
InChIKeyNHPQGLSDIVGFAC-UHFFFAOYSA-N
XLogP4.20
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.12
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-N-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methylpyridin-2-amine
CID 105367742
6-chloro-N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3-benzothiazol-2-amine
CID 53414955
2-[4-fluoro-3-(trifluoromethyl)anilino]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 80568805
2-[4-fluoro-3-(trifluoromethyl)anilino]-4-pyridin-4-yl-1,3-thiazol-5-ol
CID 174669115
5-bromo-N-(4-bromo-3-chlorophenyl)-1,3,4-thiadiazol-2-amine
CID 107615031
[4-fluoro-3-(trifluoromethyl)phenyl]hydrazine
CID 2774812
5-bromo-4-N-[4-fluoro-3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 80797339
[4-fluoro-3-(trifluoromethyl)anilino]azanium chloride
CID 2774811
2-N-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methylpyridine-2,5-diamine
CID 62477062
1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-(5-pyridin-4-yloxy-1,3,4-thiadiazol-2-yl)urea
CID 69448140
3,5,6-trichloro-N-[4-fluoro-3-(trifluoromethyl)phenyl]pyridin-2-amine
CID 102750491
N-(5-bromo-1,3,4-thiadiazol-2-yl)-1,3-benzothiazol-6-amine
CID 107800236

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-bromo-N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-amine (CID 64622843) is 5-bromo-N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-bromo-N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-bromo-N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-amine is Fc1ccc(Nc2nnc(Br)s2)cc1C(F)(F)F.
What is the InChIKey of 5-bromo-N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is NHPQGLSDIVGFAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4BrF4N3S/c10-7-16-17-8(18-7)15-4-1-2-6(11)5(3-4)9(12,13)14/h1-3H,(H,15,17).
What are the key properties of 5-bromo-N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-amine?
5-bromo-N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 342.12 g/mol, XLogP of 4.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 64622843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).