2-[(4-bromo-1,2-thiazol-5-yl)methyl]triazol-4-amine

C6H6BrN5S — CID 165471897

IUPAC2-[(4-bromo-1,2-thiazol-5-yl)methyl]triazol-4-amine
SMILESNc1cnn(Cc2sncc2Br)n1
InChIInChI=1S/C6H6BrN5S/c7-4-1-10-13-5(4)3-12-9-2-6(8)11-12/h1-2H,3H2,(H2,8,11)
InChIKeyARMZNFVZBNKQLP-UHFFFAOYSA-N
MW260.12 g/mol
LogP1.13
Rot. Bonds2

About 2-[(4-bromo-1,2-thiazol-5-yl)methyl]triazol-4-amine

2-[(4-bromo-1,2-thiazol-5-yl)methyl]triazol-4-amine (PubChem CID 165471897) has the molecular formula C6H6BrN5S and a molecular weight of 260.12 g/mol. Its IUPAC name is 2-[(4-bromo-1,2-thiazol-5-yl)methyl]triazol-4-amine.

Molecular Properties

Compound Name2-[(4-bromo-1,2-thiazol-5-yl)methyl]triazol-4-amine
PubChem CID165471897
Molecular FormulaC6H6BrN5S
Molecular Weight260.12 g/mol
Exact Mass258.95
IUPAC Name2-[(4-bromo-1,2-thiazol-5-yl)methyl]triazol-4-amine
SMILESNc1cnn(Cc2sncc2Br)n1
InChIInChI=1S/C6H6BrN5S/c7-4-1-10-13-5(4)3-12-9-2-6(8)11-12/h1-2H,3H2,(H2,8,11)
InChIKeyARMZNFVZBNKQLP-UHFFFAOYSA-N
XLogP1.13
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.12
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromo-1,2-thiazol-5-yl)methyl]triazol-4-amine?
The IUPAC name of 2-[(4-bromo-1,2-thiazol-5-yl)methyl]triazol-4-amine (CID 165471897) is 2-[(4-bromo-1,2-thiazol-5-yl)methyl]triazol-4-amine.
What is the SMILES notation for 2-[(4-bromo-1,2-thiazol-5-yl)methyl]triazol-4-amine?
The canonical SMILES for 2-[(4-bromo-1,2-thiazol-5-yl)methyl]triazol-4-amine is Nc1cnn(Cc2sncc2Br)n1.
What is the InChIKey of 2-[(4-bromo-1,2-thiazol-5-yl)methyl]triazol-4-amine?
The InChIKey is ARMZNFVZBNKQLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6BrN5S/c7-4-1-10-13-5(4)3-12-9-2-6(8)11-12/h1-2H,3H2,(H2,8,11).
What are the key properties of 2-[(4-bromo-1,2-thiazol-5-yl)methyl]triazol-4-amine?
2-[(4-bromo-1,2-thiazol-5-yl)methyl]triazol-4-amine has a molecular weight of 260.12 g/mol, XLogP of 1.13, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromo-1,2-thiazol-5-yl)methyl]triazol-4-amine is sourced from PubChem (CID 165471897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).