5-(4-bromophenyl)-6-ethyl-6H-1,3,4-thiadiazin-2-amine

C11H12BrN3S — CID 56686494

IUPAC5-(4-bromophenyl)-6-ethyl-6H-1,3,4-thiadiazin-2-amine
SMILESCCC1SC(N)=NN=C1c1ccc(Br)cc1
InChIInChI=1S/C11H12BrN3S/c1-2-9-10(14-15-11(13)16-9)7-3-5-8(12)6-4-7/h3-6,9H,2H2,1H3,(H2,13,15)
InChIKeyGVBYSDPHFRIVOA-UHFFFAOYSA-N
MW298.21 g/mol
LogP2.99
Rot. Bonds2

About 5-(4-bromophenyl)-6-ethyl-6H-1,3,4-thiadiazin-2-amine

5-(4-bromophenyl)-6-ethyl-6H-1,3,4-thiadiazin-2-amine (PubChem CID 56686494) has the molecular formula C11H12BrN3S and a molecular weight of 298.21 g/mol. Its IUPAC name is 5-(4-bromophenyl)-6-ethyl-6H-1,3,4-thiadiazin-2-amine.

Molecular Properties

Compound Name5-(4-bromophenyl)-6-ethyl-6H-1,3,4-thiadiazin-2-amine
PubChem CID56686494
Molecular FormulaC11H12BrN3S
Molecular Weight298.21 g/mol
Exact Mass296.99
IUPAC Name5-(4-bromophenyl)-6-ethyl-6H-1,3,4-thiadiazin-2-amine
SMILESCCC1SC(N)=NN=C1c1ccc(Br)cc1
InChIInChI=1S/C11H12BrN3S/c1-2-9-10(14-15-11(13)16-9)7-3-5-8(12)6-4-7/h3-6,9H,2H2,1H3,(H2,13,15)
InChIKeyGVBYSDPHFRIVOA-UHFFFAOYSA-N
XLogP2.99
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.21
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-6-ethyl-6H-1,3,4-thiadiazin-2-amine?
The IUPAC name of 5-(4-bromophenyl)-6-ethyl-6H-1,3,4-thiadiazin-2-amine (CID 56686494) is 5-(4-bromophenyl)-6-ethyl-6H-1,3,4-thiadiazin-2-amine.
What is the SMILES notation for 5-(4-bromophenyl)-6-ethyl-6H-1,3,4-thiadiazin-2-amine?
The canonical SMILES for 5-(4-bromophenyl)-6-ethyl-6H-1,3,4-thiadiazin-2-amine is CCC1SC(N)=NN=C1c1ccc(Br)cc1.
What is the InChIKey of 5-(4-bromophenyl)-6-ethyl-6H-1,3,4-thiadiazin-2-amine?
The InChIKey is GVBYSDPHFRIVOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3S/c1-2-9-10(14-15-11(13)16-9)7-3-5-8(12)6-4-7/h3-6,9H,2H2,1H3,(H2,13,15).
What are the key properties of 5-(4-bromophenyl)-6-ethyl-6H-1,3,4-thiadiazin-2-amine?
5-(4-bromophenyl)-6-ethyl-6H-1,3,4-thiadiazin-2-amine has a molecular weight of 298.21 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-6-ethyl-6H-1,3,4-thiadiazin-2-amine is sourced from PubChem (CID 56686494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).