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

C12H11N5S — CID 174750215

IUPAC2-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]-1,3-thiazol-4-amine
SMILESNc1csc(Cc2cccc(-n3cncn3)c2)n1
InChIInChI=1S/C12H11N5S/c13-11-6-18-12(16-11)5-9-2-1-3-10(4-9)17-8-14-7-15-17/h1-4,6-8H,5,13H2
InChIKeyIHBIXRIKABAQGI-UHFFFAOYSA-N
MW257.32 g/mol
LogP1.90
Rot. Bonds3

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

2-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]-1,3-thiazol-4-amine (PubChem CID 174750215) has the molecular formula C12H11N5S and a molecular weight of 257.32 g/mol. Its IUPAC name is 2-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]-1,3-thiazol-4-amine.

Molecular Properties

Compound Name2-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]-1,3-thiazol-4-amine
PubChem CID174750215
Molecular FormulaC12H11N5S
Molecular Weight257.32 g/mol
Exact Mass257.07
IUPAC Name2-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]-1,3-thiazol-4-amine
SMILESNc1csc(Cc2cccc(-n3cncn3)c2)n1
InChIInChI=1S/C12H11N5S/c13-11-6-18-12(16-11)5-9-2-1-3-10(4-9)17-8-14-7-15-17/h1-4,6-8H,5,13H2
InChIKeyIHBIXRIKABAQGI-UHFFFAOYSA-N
XLogP1.90
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.32
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]-1,3-thiazol-4-amine?
The IUPAC name of 2-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]-1,3-thiazol-4-amine (CID 174750215) is 2-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]-1,3-thiazol-4-amine.
What is the SMILES notation for 2-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]-1,3-thiazol-4-amine?
The canonical SMILES for 2-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]-1,3-thiazol-4-amine is Nc1csc(Cc2cccc(-n3cncn3)c2)n1.
What is the InChIKey of 2-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]-1,3-thiazol-4-amine?
The InChIKey is IHBIXRIKABAQGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5S/c13-11-6-18-12(16-11)5-9-2-1-3-10(4-9)17-8-14-7-15-17/h1-4,6-8H,5,13H2.
What are the key properties of 2-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]-1,3-thiazol-4-amine?
2-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]-1,3-thiazol-4-amine has a molecular weight of 257.32 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]-1,3-thiazol-4-amine is sourced from PubChem (CID 174750215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).