3-methyl-[1,3]thiazolo[2,3-c][1,2,4]triazole

C5H5N3S — CID 83381528

IUPAC3-methyl-[1,3]thiazolo[2,3-c][1,2,4]triazole
SMILESCc1nnc2sccn12
InChIInChI=1S/C5H5N3S/c1-4-6-7-5-8(4)2-3-9-5/h2-3H,1H3
InChIKeyRPHYTLXQFMCJOY-UHFFFAOYSA-N
MW139.18 g/mol
LogP1.10
Rot. Bonds

About 3-methyl-[1,3]thiazolo[2,3-c][1,2,4]triazole

3-methyl-[1,3]thiazolo[2,3-c][1,2,4]triazole (PubChem CID 83381528) has the molecular formula C5H5N3S and a molecular weight of 139.18 g/mol. Its IUPAC name is 3-methyl-[1,3]thiazolo[2,3-c][1,2,4]triazole.

Molecular Properties

Compound Name3-methyl-[1,3]thiazolo[2,3-c][1,2,4]triazole
PubChem CID83381528
Molecular FormulaC5H5N3S
Molecular Weight139.18 g/mol
Exact Mass139.02
IUPAC Name3-methyl-[1,3]thiazolo[2,3-c][1,2,4]triazole
SMILESCc1nnc2sccn12
InChIInChI=1S/C5H5N3S/c1-4-6-7-5-8(4)2-3-9-5/h2-3H,1H3
InChIKeyRPHYTLXQFMCJOY-UHFFFAOYSA-N
XLogP1.10
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.18
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-[1,3]thiazolo[2,3-c][1,2,4]triazole?
The IUPAC name of 3-methyl-[1,3]thiazolo[2,3-c][1,2,4]triazole (CID 83381528) is 3-methyl-[1,3]thiazolo[2,3-c][1,2,4]triazole.
What is the SMILES notation for 3-methyl-[1,3]thiazolo[2,3-c][1,2,4]triazole?
The canonical SMILES for 3-methyl-[1,3]thiazolo[2,3-c][1,2,4]triazole is Cc1nnc2sccn12.
What is the InChIKey of 3-methyl-[1,3]thiazolo[2,3-c][1,2,4]triazole?
The InChIKey is RPHYTLXQFMCJOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N3S/c1-4-6-7-5-8(4)2-3-9-5/h2-3H,1H3.
What are the key properties of 3-methyl-[1,3]thiazolo[2,3-c][1,2,4]triazole?
3-methyl-[1,3]thiazolo[2,3-c][1,2,4]triazole has a molecular weight of 139.18 g/mol, XLogP of 1.10, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-[1,3]thiazolo[2,3-c][1,2,4]triazole is sourced from PubChem (CID 83381528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).