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

C9H8BrN3S — CID 839873

IUPAC5-(4-bromophenyl)-6H-1,3,4-thiadiazin-2-amine
SMILESNC1=NN=C(c2ccc(Br)cc2)CS1
InChIInChI=1S/C9H8BrN3S/c10-7-3-1-6(2-4-7)8-5-14-9(11)13-12-8/h1-4H,5H2,(H2,11,13)
InChIKeySZGNSUIONWAXED-UHFFFAOYSA-N
MW270.16 g/mol
LogP2.21
Rot. Bonds1

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

5-(4-bromophenyl)-6H-1,3,4-thiadiazin-2-amine (PubChem CID 839873) has the molecular formula C9H8BrN3S and a molecular weight of 270.16 g/mol. Its IUPAC name is 5-(4-bromophenyl)-6H-1,3,4-thiadiazin-2-amine.

Molecular Properties

Compound Name5-(4-bromophenyl)-6H-1,3,4-thiadiazin-2-amine
PubChem CID839873
Molecular FormulaC9H8BrN3S
Molecular Weight270.16 g/mol
Exact Mass268.96
IUPAC Name5-(4-bromophenyl)-6H-1,3,4-thiadiazin-2-amine
SMILESNC1=NN=C(c2ccc(Br)cc2)CS1
InChIInChI=1S/C9H8BrN3S/c10-7-3-1-6(2-4-7)8-5-14-9(11)13-12-8/h1-4H,5H2,(H2,11,13)
InChIKeySZGNSUIONWAXED-UHFFFAOYSA-N
XLogP2.21
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.16
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-6H-1,3,4-thiadiazin-2-amine?
The IUPAC name of 5-(4-bromophenyl)-6H-1,3,4-thiadiazin-2-amine (CID 839873) is 5-(4-bromophenyl)-6H-1,3,4-thiadiazin-2-amine.
What is the SMILES notation for 5-(4-bromophenyl)-6H-1,3,4-thiadiazin-2-amine?
The canonical SMILES for 5-(4-bromophenyl)-6H-1,3,4-thiadiazin-2-amine is NC1=NN=C(c2ccc(Br)cc2)CS1.
What is the InChIKey of 5-(4-bromophenyl)-6H-1,3,4-thiadiazin-2-amine?
The InChIKey is SZGNSUIONWAXED-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrN3S/c10-7-3-1-6(2-4-7)8-5-14-9(11)13-12-8/h1-4H,5H2,(H2,11,13).
What are the key properties of 5-(4-bromophenyl)-6H-1,3,4-thiadiazin-2-amine?
5-(4-bromophenyl)-6H-1,3,4-thiadiazin-2-amine has a molecular weight of 270.16 g/mol, XLogP of 2.21, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-6H-1,3,4-thiadiazin-2-amine is sourced from PubChem (CID 839873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).