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

C11H11BrFN3S — CID 106646781

IUPAC4-(3-bromo-2-fluorophenyl)-N-propyl-1,2,5-thiadiazol-3-amine
SMILESCCCNc1nsnc1-c1cccc(Br)c1F
InChIInChI=1S/C11H11BrFN3S/c1-2-6-14-11-10(15-17-16-11)7-4-3-5-8(12)9(7)13/h3-5H,2,6H2,1H3,(H,14,16)
InChIKeyROQHSABMLAPCJA-UHFFFAOYSA-N
MW316.20 g/mol
LogP3.93
Rot. Bonds4

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

4-(3-bromo-2-fluorophenyl)-N-propyl-1,2,5-thiadiazol-3-amine (PubChem CID 106646781) has the molecular formula C11H11BrFN3S and a molecular weight of 316.20 g/mol. Its IUPAC name is 4-(3-bromo-2-fluorophenyl)-N-propyl-1,2,5-thiadiazol-3-amine.

Molecular Properties

Compound Name4-(3-bromo-2-fluorophenyl)-N-propyl-1,2,5-thiadiazol-3-amine
PubChem CID106646781
Molecular FormulaC11H11BrFN3S
Molecular Weight316.20 g/mol
Exact Mass314.98
IUPAC Name4-(3-bromo-2-fluorophenyl)-N-propyl-1,2,5-thiadiazol-3-amine
SMILESCCCNc1nsnc1-c1cccc(Br)c1F
InChIInChI=1S/C11H11BrFN3S/c1-2-6-14-11-10(15-17-16-11)7-4-3-5-8(12)9(7)13/h3-5H,2,6H2,1H3,(H,14,16)
InChIKeyROQHSABMLAPCJA-UHFFFAOYSA-N
XLogP3.93
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.20
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3-bromo-2-fluorophenyl)-N,5-dipropylpyrimidin-4-amine
CID 106646745
4-(2,6-difluoro-3-methylphenyl)-N-propyl-1,2,5-thiadiazol-3-amine
CID 82823097
4-(2-methylthiophen-3-yl)-N-propyl-1,2,5-thiadiazol-3-amine
CID 102838564
6-(3-bromo-2-fluorophenyl)-N,5-diethylpyrimidin-4-amine
CID 106646886
N-[1-[5-(3-bromo-2-fluorophenyl)-1,3,4-thiadiazol-2-yl]ethyl]propan-1-amine
CID 107954758
6-(3-bromo-2-fluorophenyl)-5-ethyl-N-methylpyrimidin-4-amine
CID 106646843
N-[1-[4-(3-bromo-2-fluorophenyl)-2-chlorophenyl]ethyl]propan-1-amine
CID 106646413
4-(3-phenyltriazol-4-yl)-N-propyl-1,2,5-thiadiazol-3-amine
CID 114691001
N-[1-[5-(3-bromo-2-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
CID 107952660
6-(3-bromo-2-fluorophenyl)-2-tert-butyl-N,5-dimethylpyrimidin-4-amine
CID 106646829
4-(4-cyclobutylphenyl)-N-propyl-1,2,5-thiadiazol-3-amine
CID 116506918
4-(3-fluoro-2-methylphenyl)-N-methyl-1,2,5-thiadiazol-3-amine
CID 115502955

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromo-2-fluorophenyl)-N-propyl-1,2,5-thiadiazol-3-amine?
The IUPAC name of 4-(3-bromo-2-fluorophenyl)-N-propyl-1,2,5-thiadiazol-3-amine (CID 106646781) is 4-(3-bromo-2-fluorophenyl)-N-propyl-1,2,5-thiadiazol-3-amine.
What is the SMILES notation for 4-(3-bromo-2-fluorophenyl)-N-propyl-1,2,5-thiadiazol-3-amine?
The canonical SMILES for 4-(3-bromo-2-fluorophenyl)-N-propyl-1,2,5-thiadiazol-3-amine is CCCNc1nsnc1-c1cccc(Br)c1F.
What is the InChIKey of 4-(3-bromo-2-fluorophenyl)-N-propyl-1,2,5-thiadiazol-3-amine?
The InChIKey is ROQHSABMLAPCJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrFN3S/c1-2-6-14-11-10(15-17-16-11)7-4-3-5-8(12)9(7)13/h3-5H,2,6H2,1H3,(H,14,16).
What are the key properties of 4-(3-bromo-2-fluorophenyl)-N-propyl-1,2,5-thiadiazol-3-amine?
4-(3-bromo-2-fluorophenyl)-N-propyl-1,2,5-thiadiazol-3-amine has a molecular weight of 316.20 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromo-2-fluorophenyl)-N-propyl-1,2,5-thiadiazol-3-amine is sourced from PubChem (CID 106646781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).