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

C7H9N5S — CID 79530807

IUPAC1-[(2-methyl-1,3-thiazol-5-yl)methyl]triazol-4-amine
SMILESCc1ncc(Cn2cc(N)nn2)s1
InChIInChI=1S/C7H9N5S/c1-5-9-2-6(13-5)3-12-4-7(8)10-11-12/h2,4H,3,8H2,1H3
InChIKeyAYWZNBWKJHKQAT-UHFFFAOYSA-N
MW195.25 g/mol
LogP0.67
Rot. Bonds2

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

1-[(2-methyl-1,3-thiazol-5-yl)methyl]triazol-4-amine (PubChem CID 79530807) has the molecular formula C7H9N5S and a molecular weight of 195.25 g/mol. Its IUPAC name is 1-[(2-methyl-1,3-thiazol-5-yl)methyl]triazol-4-amine.

Molecular Properties

Compound Name1-[(2-methyl-1,3-thiazol-5-yl)methyl]triazol-4-amine
PubChem CID79530807
Molecular FormulaC7H9N5S
Molecular Weight195.25 g/mol
Exact Mass195.06
IUPAC Name1-[(2-methyl-1,3-thiazol-5-yl)methyl]triazol-4-amine
SMILESCc1ncc(Cn2cc(N)nn2)s1
InChIInChI=1S/C7H9N5S/c1-5-9-2-6(13-5)3-12-4-7(8)10-11-12/h2,4H,3,8H2,1H3
InChIKeyAYWZNBWKJHKQAT-UHFFFAOYSA-N
XLogP0.67
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.25
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[(2-methyl-1,3-thiazol-5-yl)methyl]triazol-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methyl-1,3-thiazol-5-yl)methyl]triazol-4-amine?
The IUPAC name of 1-[(2-methyl-1,3-thiazol-5-yl)methyl]triazol-4-amine (CID 79530807) is 1-[(2-methyl-1,3-thiazol-5-yl)methyl]triazol-4-amine.
What is the SMILES notation for 1-[(2-methyl-1,3-thiazol-5-yl)methyl]triazol-4-amine?
The canonical SMILES for 1-[(2-methyl-1,3-thiazol-5-yl)methyl]triazol-4-amine is Cc1ncc(Cn2cc(N)nn2)s1.
What is the InChIKey of 1-[(2-methyl-1,3-thiazol-5-yl)methyl]triazol-4-amine?
The InChIKey is AYWZNBWKJHKQAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5S/c1-5-9-2-6(13-5)3-12-4-7(8)10-11-12/h2,4H,3,8H2,1H3.
What are the key properties of 1-[(2-methyl-1,3-thiazol-5-yl)methyl]triazol-4-amine?
1-[(2-methyl-1,3-thiazol-5-yl)methyl]triazol-4-amine has a molecular weight of 195.25 g/mol, XLogP of 0.67, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methyl-1,3-thiazol-5-yl)methyl]triazol-4-amine is sourced from PubChem (CID 79530807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).