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

C11H11BrFN3S — CID 79742623

IUPAC5-(5-bromo-2-fluorophenyl)-N-propyl-1,3,4-thiadiazol-2-amine
SMILESCCCNc1nnc(-c2cc(Br)ccc2F)s1
InChIInChI=1S/C11H11BrFN3S/c1-2-5-14-11-16-15-10(17-11)8-6-7(12)3-4-9(8)13/h3-4,6H,2,5H2,1H3,(H,14,16)
InChIKeyRNOZJGKDLJEGNJ-UHFFFAOYSA-N
MW316.20 g/mol
LogP3.93
Rot. Bonds4

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

5-(5-bromo-2-fluorophenyl)-N-propyl-1,3,4-thiadiazol-2-amine (PubChem CID 79742623) has the molecular formula C11H11BrFN3S and a molecular weight of 316.20 g/mol. Its IUPAC name is 5-(5-bromo-2-fluorophenyl)-N-propyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(5-bromo-2-fluorophenyl)-N-propyl-1,3,4-thiadiazol-2-amine
PubChem CID79742623
Molecular FormulaC11H11BrFN3S
Molecular Weight316.20 g/mol
Exact Mass314.98
IUPAC Name5-(5-bromo-2-fluorophenyl)-N-propyl-1,3,4-thiadiazol-2-amine
SMILESCCCNc1nnc(-c2cc(Br)ccc2F)s1
InChIInChI=1S/C11H11BrFN3S/c1-2-5-14-11-16-15-10(17-11)8-6-7(12)3-4-9(8)13/h3-4,6H,2,5H2,1H3,(H,14,16)
InChIKeyRNOZJGKDLJEGNJ-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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Frequently Asked Questions

What is the IUPAC name of 5-(5-bromo-2-fluorophenyl)-N-propyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(5-bromo-2-fluorophenyl)-N-propyl-1,3,4-thiadiazol-2-amine (CID 79742623) is 5-(5-bromo-2-fluorophenyl)-N-propyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(5-bromo-2-fluorophenyl)-N-propyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(5-bromo-2-fluorophenyl)-N-propyl-1,3,4-thiadiazol-2-amine is CCCNc1nnc(-c2cc(Br)ccc2F)s1.
What is the InChIKey of 5-(5-bromo-2-fluorophenyl)-N-propyl-1,3,4-thiadiazol-2-amine?
The InChIKey is RNOZJGKDLJEGNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrFN3S/c1-2-5-14-11-16-15-10(17-11)8-6-7(12)3-4-9(8)13/h3-4,6H,2,5H2,1H3,(H,14,16).
What are the key properties of 5-(5-bromo-2-fluorophenyl)-N-propyl-1,3,4-thiadiazol-2-amine?
5-(5-bromo-2-fluorophenyl)-N-propyl-1,3,4-thiadiazol-2-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 5-(5-bromo-2-fluorophenyl)-N-propyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 79742623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).