5-bromo-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1,2,4-triazol-3-amine

C8H10BrN5S — CID 165482172

IUPAC5-bromo-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1,2,4-triazol-3-amine
SMILESCc1nc(C)c(Cn2nc(N)nc2Br)s1
InChIInChI=1S/C8H10BrN5S/c1-4-6(15-5(2)11-4)3-14-7(9)12-8(10)13-14/h3H2,1-2H3,(H2,10,13)
InChIKeyNBQIJBXYHJAPRN-UHFFFAOYSA-N
MW288.17 g/mol
LogP1.74
Rot. Bonds2

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

5-bromo-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1,2,4-triazol-3-amine (PubChem CID 165482172) has the molecular formula C8H10BrN5S and a molecular weight of 288.17 g/mol. Its IUPAC name is 5-bromo-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-bromo-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1,2,4-triazol-3-amine
PubChem CID165482172
Molecular FormulaC8H10BrN5S
Molecular Weight288.17 g/mol
Exact Mass286.98
IUPAC Name5-bromo-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1,2,4-triazol-3-amine
SMILESCc1nc(C)c(Cn2nc(N)nc2Br)s1
InChIInChI=1S/C8H10BrN5S/c1-4-6(15-5(2)11-4)3-14-7(9)12-8(10)13-14/h3H2,1-2H3,(H2,10,13)
InChIKeyNBQIJBXYHJAPRN-UHFFFAOYSA-N
XLogP1.74
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.17
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-bromo-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1,2,4-triazol-3-amine?
The IUPAC name of 5-bromo-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1,2,4-triazol-3-amine (CID 165482172) is 5-bromo-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-bromo-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1,2,4-triazol-3-amine?
The canonical SMILES for 5-bromo-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1,2,4-triazol-3-amine is Cc1nc(C)c(Cn2nc(N)nc2Br)s1.
What is the InChIKey of 5-bromo-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1,2,4-triazol-3-amine?
The InChIKey is NBQIJBXYHJAPRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrN5S/c1-4-6(15-5(2)11-4)3-14-7(9)12-8(10)13-14/h3H2,1-2H3,(H2,10,13).
What are the key properties of 5-bromo-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1,2,4-triazol-3-amine?
5-bromo-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1,2,4-triazol-3-amine has a molecular weight of 288.17 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-bromo-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1,2,4-triazol-3-amine is sourced from PubChem (CID 165482172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).