5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazole

C6H7N3S — CID 59999520

IUPAC5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazole
SMILESCc1sc2ncnn2c1C
InChIInChI=1S/C6H7N3S/c1-4-5(2)10-6-7-3-8-9(4)6/h3H,1-2H3
InChIKeyCIQVGQRQLDXUQT-UHFFFAOYSA-N
MW153.21 g/mol
LogP1.41
Rot. Bonds

About 5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazole

5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazole (PubChem CID 59999520) has the molecular formula C6H7N3S and a molecular weight of 153.21 g/mol. Its IUPAC name is 5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazole.

Molecular Properties

Compound Name5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazole
PubChem CID59999520
Molecular FormulaC6H7N3S
Molecular Weight153.21 g/mol
Exact Mass153.04
IUPAC Name5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazole
SMILESCc1sc2ncnn2c1C
InChIInChI=1S/C6H7N3S/c1-4-5(2)10-6-7-3-8-9(4)6/h3H,1-2H3
InChIKeyCIQVGQRQLDXUQT-UHFFFAOYSA-N
XLogP1.41
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.21
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazole?
The IUPAC name of 5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazole (CID 59999520) is 5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazole.
What is the SMILES notation for 5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazole?
The canonical SMILES for 5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazole is Cc1sc2ncnn2c1C.
What is the InChIKey of 5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazole?
The InChIKey is CIQVGQRQLDXUQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3S/c1-4-5(2)10-6-7-3-8-9(4)6/h3H,1-2H3.
What are the key properties of 5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazole?
5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazole has a molecular weight of 153.21 g/mol, XLogP of 1.41, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazole is sourced from PubChem (CID 59999520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).