(2-benzyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)methanamine

C12H12N4S — CID 82478597

IUPAC(2-benzyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)methanamine
SMILESNCc1csc2nc(Cc3ccccc3)nn12
InChIInChI=1S/C12H12N4S/c13-7-10-8-17-12-14-11(15-16(10)12)6-9-4-2-1-3-5-9/h1-5,8H,6-7,13H2
InChIKeyWUPFYANRQXAXMG-UHFFFAOYSA-N
MW244.32 g/mol
LogP1.84
Rot. Bonds3

About (2-benzyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)methanamine

(2-benzyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)methanamine (PubChem CID 82478597) has the molecular formula C12H12N4S and a molecular weight of 244.32 g/mol. Its IUPAC name is (2-benzyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)methanamine.

Molecular Properties

Compound Name(2-benzyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)methanamine
PubChem CID82478597
Molecular FormulaC12H12N4S
Molecular Weight244.32 g/mol
Exact Mass244.08
IUPAC Name(2-benzyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)methanamine
SMILESNCc1csc2nc(Cc3ccccc3)nn12
InChIInChI=1S/C12H12N4S/c13-7-10-8-17-12-14-11(15-16(10)12)6-9-4-2-1-3-5-9/h1-5,8H,6-7,13H2
InChIKeyWUPFYANRQXAXMG-UHFFFAOYSA-N
XLogP1.84
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-benzyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)methanamine?
The IUPAC name of (2-benzyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)methanamine (CID 82478597) is (2-benzyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)methanamine.
What is the SMILES notation for (2-benzyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)methanamine?
The canonical SMILES for (2-benzyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)methanamine is NCc1csc2nc(Cc3ccccc3)nn12.
What is the InChIKey of (2-benzyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)methanamine?
The InChIKey is WUPFYANRQXAXMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4S/c13-7-10-8-17-12-14-11(15-16(10)12)6-9-4-2-1-3-5-9/h1-5,8H,6-7,13H2.
What are the key properties of (2-benzyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)methanamine?
(2-benzyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)methanamine has a molecular weight of 244.32 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)methanamine is sourced from PubChem (CID 82478597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).