2-(1,2-thiazol-5-ylmethyl)triazol-4-amine

C6H7N5S — CID 165471907

IUPAC2-(1,2-thiazol-5-ylmethyl)triazol-4-amine
SMILESNc1cnn(Cc2ccns2)n1
InChIInChI=1S/C6H7N5S/c7-6-3-8-11(10-6)4-5-1-2-9-12-5/h1-3H,4H2,(H2,7,10)
InChIKeyCGSMCHOFSXNSKT-UHFFFAOYSA-N
MW181.22 g/mol
LogP0.37
Rot. Bonds2

About 2-(1,2-thiazol-5-ylmethyl)triazol-4-amine

2-(1,2-thiazol-5-ylmethyl)triazol-4-amine (PubChem CID 165471907) has the molecular formula C6H7N5S and a molecular weight of 181.22 g/mol. Its IUPAC name is 2-(1,2-thiazol-5-ylmethyl)triazol-4-amine.

Molecular Properties

Compound Name2-(1,2-thiazol-5-ylmethyl)triazol-4-amine
PubChem CID165471907
Molecular FormulaC6H7N5S
Molecular Weight181.22 g/mol
Exact Mass181.04
IUPAC Name2-(1,2-thiazol-5-ylmethyl)triazol-4-amine
SMILESNc1cnn(Cc2ccns2)n1
InChIInChI=1S/C6H7N5S/c7-6-3-8-11(10-6)4-5-1-2-9-12-5/h1-3H,4H2,(H2,7,10)
InChIKeyCGSMCHOFSXNSKT-UHFFFAOYSA-N
XLogP0.37
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.22
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2-thiazol-5-ylmethyl)triazol-4-amine?
The IUPAC name of 2-(1,2-thiazol-5-ylmethyl)triazol-4-amine (CID 165471907) is 2-(1,2-thiazol-5-ylmethyl)triazol-4-amine.
What is the SMILES notation for 2-(1,2-thiazol-5-ylmethyl)triazol-4-amine?
The canonical SMILES for 2-(1,2-thiazol-5-ylmethyl)triazol-4-amine is Nc1cnn(Cc2ccns2)n1.
What is the InChIKey of 2-(1,2-thiazol-5-ylmethyl)triazol-4-amine?
The InChIKey is CGSMCHOFSXNSKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N5S/c7-6-3-8-11(10-6)4-5-1-2-9-12-5/h1-3H,4H2,(H2,7,10).
What are the key properties of 2-(1,2-thiazol-5-ylmethyl)triazol-4-amine?
2-(1,2-thiazol-5-ylmethyl)triazol-4-amine has a molecular weight of 181.22 g/mol, XLogP of 0.37, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-thiazol-5-ylmethyl)triazol-4-amine is sourced from PubChem (CID 165471907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).