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

C8H13N3S — CID 145087208

IUPAC2,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazole;ethane
SMILESCC.Cc1nc2scc(C)n2n1
InChIInChI=1S/C6H7N3S.C2H6/c1-4-3-10-6-7-5(2)8-9(4)6;1-2/h3H,1-2H3;1-2H3
InChIKeyBSZTZWGDODUZQR-UHFFFAOYSA-N
MW183.28 g/mol
LogP2.43
Rot. Bonds

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

2,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazole;ethane (PubChem CID 145087208) has the molecular formula C8H13N3S and a molecular weight of 183.28 g/mol. Its IUPAC name is 2,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazole;ethane.

Molecular Properties

Compound Name2,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazole;ethane
PubChem CID145087208
Molecular FormulaC8H13N3S
Molecular Weight183.28 g/mol
Exact Mass183.08
IUPAC Name2,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazole;ethane
SMILESCC.Cc1nc2scc(C)n2n1
InChIInChI=1S/C6H7N3S.C2H6/c1-4-3-10-6-7-5(2)8-9(4)6;1-2/h3H,1-2H3;1-2H3
InChIKeyBSZTZWGDODUZQR-UHFFFAOYSA-N
XLogP2.43
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.28
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazole;ethane?
The IUPAC name of 2,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazole;ethane (CID 145087208) is 2,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazole;ethane.
What is the SMILES notation for 2,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazole;ethane?
The canonical SMILES for 2,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazole;ethane is CC.Cc1nc2scc(C)n2n1.
What is the InChIKey of 2,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazole;ethane?
The InChIKey is BSZTZWGDODUZQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3S.C2H6/c1-4-3-10-6-7-5(2)8-9(4)6;1-2/h3H,1-2H3;1-2H3.
What are the key properties of 2,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazole;ethane?
2,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazole;ethane has a molecular weight of 183.28 g/mol, XLogP of 2.43, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazole;ethane is sourced from PubChem (CID 145087208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).