5-bromo-N-(3-fluorophenyl)-1,3,4-thiadiazol-2-amine

C8H5BrFN3S — CID 64622828

IUPAC5-bromo-N-(3-fluorophenyl)-1,3,4-thiadiazol-2-amine
SMILESFc1cccc(Nc2nnc(Br)s2)c1
InChIInChI=1S/C8H5BrFN3S/c9-7-12-13-8(14-7)11-6-3-1-2-5(10)4-6/h1-4H,(H,11,13)
InChIKeyKZNNCYTWQOIQEK-UHFFFAOYSA-N
MW274.12 g/mol
LogP3.18
Rot. Bonds2

About 5-bromo-N-(3-fluorophenyl)-1,3,4-thiadiazol-2-amine

5-bromo-N-(3-fluorophenyl)-1,3,4-thiadiazol-2-amine (PubChem CID 64622828) has the molecular formula C8H5BrFN3S and a molecular weight of 274.12 g/mol. Its IUPAC name is 5-bromo-N-(3-fluorophenyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-bromo-N-(3-fluorophenyl)-1,3,4-thiadiazol-2-amine
PubChem CID64622828
Molecular FormulaC8H5BrFN3S
Molecular Weight274.12 g/mol
Exact Mass272.94
IUPAC Name5-bromo-N-(3-fluorophenyl)-1,3,4-thiadiazol-2-amine
SMILESFc1cccc(Nc2nnc(Br)s2)c1
InChIInChI=1S/C8H5BrFN3S/c9-7-12-13-8(14-7)11-6-3-1-2-5(10)4-6/h1-4H,(H,11,13)
InChIKeyKZNNCYTWQOIQEK-UHFFFAOYSA-N
XLogP3.18
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.12
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-aminoethylsulfanyl)-N-(3-fluorophenyl)-1,3,4-thiadiazol-2-amine
CID 94696801
2-N-(3-fluorophenyl)-1,3-thiazole-2,5-diamine
CID 102767447
5-bromo-N-[2-(3-fluorophenyl)ethyl]-1,3,4-thiadiazol-2-amine
CID 64623680
5-bromo-N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-amine
CID 64622843
5-(3-fluoroanilino)-3H-1,3,4-thiadiazole-2-thione
CID 2818751
N-(3-fluorophenyl)-5-(pyrimidin-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine
CID 99795044
3-fluoro-N-phenylaniline
CID 2774466
2-[[5-(3-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(3-fluorophenyl)acetamide
CID 8674150
5-(2-ethoxyethylsulfanyl)-N-(3-fluorophenyl)-1,3,4-thiadiazol-2-amine
CID 8674010
3-fluoro-N-(4-fluorophenyl)aniline
CID 54316192
2-[[5-(3-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-phenylacetamide
CID 8674038
N-(3-fluorophenyl)-5-[[(2S)-oxan-2-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 8674210

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3-fluorophenyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-bromo-N-(3-fluorophenyl)-1,3,4-thiadiazol-2-amine (CID 64622828) is 5-bromo-N-(3-fluorophenyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-bromo-N-(3-fluorophenyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-bromo-N-(3-fluorophenyl)-1,3,4-thiadiazol-2-amine is Fc1cccc(Nc2nnc(Br)s2)c1.
What is the InChIKey of 5-bromo-N-(3-fluorophenyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is KZNNCYTWQOIQEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrFN3S/c9-7-12-13-8(14-7)11-6-3-1-2-5(10)4-6/h1-4H,(H,11,13).
What are the key properties of 5-bromo-N-(3-fluorophenyl)-1,3,4-thiadiazol-2-amine?
5-bromo-N-(3-fluorophenyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 274.12 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3-fluorophenyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 64622828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).