5-(5-bromo-1,3-thiazol-4-yl)-N,4-dimethyl-1,2,4-triazol-3-amine

C7H8BrN5S — CID 164661841

IUPAC5-(5-bromo-1,3-thiazol-4-yl)-N,4-dimethyl-1,2,4-triazol-3-amine
SMILESCNc1nnc(-c2ncsc2Br)n1C
InChIInChI=1S/C7H8BrN5S/c1-9-7-12-11-6(13(7)2)4-5(8)14-3-10-4/h3H,1-2H3,(H,9,12)
InChIKeyGJJREBFUWVSYJL-UHFFFAOYSA-N
MW274.15 g/mol
LogP1.74
Rot. Bonds2

About 5-(5-bromo-1,3-thiazol-4-yl)-N,4-dimethyl-1,2,4-triazol-3-amine

5-(5-bromo-1,3-thiazol-4-yl)-N,4-dimethyl-1,2,4-triazol-3-amine (PubChem CID 164661841) has the molecular formula C7H8BrN5S and a molecular weight of 274.15 g/mol. Its IUPAC name is 5-(5-bromo-1,3-thiazol-4-yl)-N,4-dimethyl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-(5-bromo-1,3-thiazol-4-yl)-N,4-dimethyl-1,2,4-triazol-3-amine
PubChem CID164661841
Molecular FormulaC7H8BrN5S
Molecular Weight274.15 g/mol
Exact Mass272.97
IUPAC Name5-(5-bromo-1,3-thiazol-4-yl)-N,4-dimethyl-1,2,4-triazol-3-amine
SMILESCNc1nnc(-c2ncsc2Br)n1C
InChIInChI=1S/C7H8BrN5S/c1-9-7-12-11-6(13(7)2)4-5(8)14-3-10-4/h3H,1-2H3,(H,9,12)
InChIKeyGJJREBFUWVSYJL-UHFFFAOYSA-N
XLogP1.74
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.15
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(5-bromo-1,3-thiazol-4-yl)-N,4-dimethyl-1,2,4-triazol-3-amine?
The IUPAC name of 5-(5-bromo-1,3-thiazol-4-yl)-N,4-dimethyl-1,2,4-triazol-3-amine (CID 164661841) is 5-(5-bromo-1,3-thiazol-4-yl)-N,4-dimethyl-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-(5-bromo-1,3-thiazol-4-yl)-N,4-dimethyl-1,2,4-triazol-3-amine?
The canonical SMILES for 5-(5-bromo-1,3-thiazol-4-yl)-N,4-dimethyl-1,2,4-triazol-3-amine is CNc1nnc(-c2ncsc2Br)n1C.
What is the InChIKey of 5-(5-bromo-1,3-thiazol-4-yl)-N,4-dimethyl-1,2,4-triazol-3-amine?
The InChIKey is GJJREBFUWVSYJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrN5S/c1-9-7-12-11-6(13(7)2)4-5(8)14-3-10-4/h3H,1-2H3,(H,9,12).
What are the key properties of 5-(5-bromo-1,3-thiazol-4-yl)-N,4-dimethyl-1,2,4-triazol-3-amine?
5-(5-bromo-1,3-thiazol-4-yl)-N,4-dimethyl-1,2,4-triazol-3-amine has a molecular weight of 274.15 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-bromo-1,3-thiazol-4-yl)-N,4-dimethyl-1,2,4-triazol-3-amine is sourced from PubChem (CID 164661841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).