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

C11H12BrN3S — CID 65268642

IUPAC3-(3-bromophenyl)-N-propyl-1,2,4-thiadiazol-5-amine
SMILESCCCNc1nc(-c2cccc(Br)c2)ns1
InChIInChI=1S/C11H12BrN3S/c1-2-6-13-11-14-10(15-16-11)8-4-3-5-9(12)7-8/h3-5,7H,2,6H2,1H3,(H,13,14,15)
InChIKeyUQZOKLHMWWNKSB-UHFFFAOYSA-N
MW298.21 g/mol
LogP3.79
Rot. Bonds4

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

3-(3-bromophenyl)-N-propyl-1,2,4-thiadiazol-5-amine (PubChem CID 65268642) has the molecular formula C11H12BrN3S and a molecular weight of 298.21 g/mol. Its IUPAC name is 3-(3-bromophenyl)-N-propyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-(3-bromophenyl)-N-propyl-1,2,4-thiadiazol-5-amine
PubChem CID65268642
Molecular FormulaC11H12BrN3S
Molecular Weight298.21 g/mol
Exact Mass296.99
IUPAC Name3-(3-bromophenyl)-N-propyl-1,2,4-thiadiazol-5-amine
SMILESCCCNc1nc(-c2cccc(Br)c2)ns1
InChIInChI=1S/C11H12BrN3S/c1-2-6-13-11-14-10(15-16-11)8-4-3-5-9(12)7-8/h3-5,7H,2,6H2,1H3,(H,13,14,15)
InChIKeyUQZOKLHMWWNKSB-UHFFFAOYSA-N
XLogP3.79
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.21
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)-N-propyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-(3-bromophenyl)-N-propyl-1,2,4-thiadiazol-5-amine (CID 65268642) is 3-(3-bromophenyl)-N-propyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-(3-bromophenyl)-N-propyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-(3-bromophenyl)-N-propyl-1,2,4-thiadiazol-5-amine is CCCNc1nc(-c2cccc(Br)c2)ns1.
What is the InChIKey of 3-(3-bromophenyl)-N-propyl-1,2,4-thiadiazol-5-amine?
The InChIKey is UQZOKLHMWWNKSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3S/c1-2-6-13-11-14-10(15-16-11)8-4-3-5-9(12)7-8/h3-5,7H,2,6H2,1H3,(H,13,14,15).
What are the key properties of 3-(3-bromophenyl)-N-propyl-1,2,4-thiadiazol-5-amine?
3-(3-bromophenyl)-N-propyl-1,2,4-thiadiazol-5-amine has a molecular weight of 298.21 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenyl)-N-propyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65268642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).