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

C5H5N3S — CID 10701896

IUPAC6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazole
SMILESCc1csc2ncnn12
InChIInChI=1S/C5H5N3S/c1-4-2-9-5-6-3-7-8(4)5/h2-3H,1H3
InChIKeyCJGIYFDORXWWMT-UHFFFAOYSA-N
MW139.18 g/mol
LogP1.10
Rot. Bonds

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

6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazole (PubChem CID 10701896) has the molecular formula C5H5N3S and a molecular weight of 139.18 g/mol. Its IUPAC name is 6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazole.

Molecular Properties

Compound Name6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazole
PubChem CID10701896
Molecular FormulaC5H5N3S
Molecular Weight139.18 g/mol
Exact Mass139.02
IUPAC Name6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazole
SMILESCc1csc2ncnn12
InChIInChI=1S/C5H5N3S/c1-4-2-9-5-6-3-7-8(4)5/h2-3H,1H3
InChIKeyCJGIYFDORXWWMT-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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Related Compounds

6-Methylthiazolo[3,2-b][1,2,4]triazol-2-amine
CID 733193
Thiazolo[3,2-b][1,2,4]triazol-6-ylmethanamine
CID 49657955
6-Methyl-2-(trifluoromethyl)[1,3]thiazolo[3,2-b][1,2,4]triazole
CID 12327800
2,6-Dimethylthiazolo[3,2-b][1,2,4]triazole
CID 10931640
6-Methyl-[1,3]thiazolo[2,3-e][1,2,4,3]triazaphosphole
CID 86173363
6-Methyl-[1,3]thiazolo[2,3-e]tetrazole
CID 21780997
6-Methyl-[1,3]thiazolo[3,2-b][1,2,4]triazole-2-sulfonyl chloride
CID 21279515
4-Methyl-2-(1,2,4-triazol-1-yl)-1,3-thiazole
CID 22887955
5,6-Dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazole
CID 59999520
6-Methyl-2-propan-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazole
CID 118124518
4-Methyl-2-(tetrazol-1-yl)-1,3-thiazole
CID 118649476
2,6-Dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazole;ethane
CID 145087208

Frequently Asked Questions

What is the IUPAC name of 6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazole?
The IUPAC name of 6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazole (CID 10701896) is 6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazole.
What is the SMILES notation for 6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazole?
The canonical SMILES for 6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazole is Cc1csc2ncnn12.
What is the InChIKey of 6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazole?
The InChIKey is CJGIYFDORXWWMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N3S/c1-4-2-9-5-6-3-7-8(4)5/h2-3H,1H3.
What are the key properties of 6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazole?
6-methyl-[1,3]thiazolo[3,2-b][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 6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazole is sourced from PubChem (CID 10701896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).