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

C7H8BrN5S — CID 130631464

IUPAC5-bromo-N-[2-(1,2,4-triazol-1-yl)ethyl]-1,3-thiazol-2-amine
SMILESBrc1cnc(NCCn2cncn2)s1
InChIInChI=1S/C7H8BrN5S/c8-6-3-11-7(14-6)10-1-2-13-5-9-4-12-13/h3-5H,1-2H2,(H,10,11)
InChIKeyRLJNHJJPDDQSMG-UHFFFAOYSA-N
MW274.15 g/mol
LogP1.61
Rot. Bonds4

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

5-bromo-N-[2-(1,2,4-triazol-1-yl)ethyl]-1,3-thiazol-2-amine (PubChem CID 130631464) has the molecular formula C7H8BrN5S and a molecular weight of 274.15 g/mol. Its IUPAC name is 5-bromo-N-[2-(1,2,4-triazol-1-yl)ethyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-bromo-N-[2-(1,2,4-triazol-1-yl)ethyl]-1,3-thiazol-2-amine
PubChem CID130631464
Molecular FormulaC7H8BrN5S
Molecular Weight274.15 g/mol
Exact Mass272.97
IUPAC Name5-bromo-N-[2-(1,2,4-triazol-1-yl)ethyl]-1,3-thiazol-2-amine
SMILESBrc1cnc(NCCn2cncn2)s1
InChIInChI=1S/C7H8BrN5S/c8-6-3-11-7(14-6)10-1-2-13-5-9-4-12-13/h3-5H,1-2H2,(H,10,11)
InChIKeyRLJNHJJPDDQSMG-UHFFFAOYSA-N
XLogP1.61
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.15
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(1,2,4-triazol-1-yl)ethyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-bromo-N-[2-(1,2,4-triazol-1-yl)ethyl]-1,3-thiazol-2-amine (CID 130631464) is 5-bromo-N-[2-(1,2,4-triazol-1-yl)ethyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-bromo-N-[2-(1,2,4-triazol-1-yl)ethyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-bromo-N-[2-(1,2,4-triazol-1-yl)ethyl]-1,3-thiazol-2-amine is Brc1cnc(NCCn2cncn2)s1.
What is the InChIKey of 5-bromo-N-[2-(1,2,4-triazol-1-yl)ethyl]-1,3-thiazol-2-amine?
The InChIKey is RLJNHJJPDDQSMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrN5S/c8-6-3-11-7(14-6)10-1-2-13-5-9-4-12-13/h3-5H,1-2H2,(H,10,11).
What are the key properties of 5-bromo-N-[2-(1,2,4-triazol-1-yl)ethyl]-1,3-thiazol-2-amine?
5-bromo-N-[2-(1,2,4-triazol-1-yl)ethyl]-1,3-thiazol-2-amine has a molecular weight of 274.15 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(1,2,4-triazol-1-yl)ethyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 130631464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).