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

C8H11N3S — CID 118124518

IUPAC6-methyl-2-propan-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazole
SMILESCc1csc2nc(C(C)C)nn12
InChIInChI=1S/C8H11N3S/c1-5(2)7-9-8-11(10-7)6(3)4-12-8/h4-5H,1-3H3
InChIKeyMASIJZPZFOJSHM-UHFFFAOYSA-N
MW181.26 g/mol
LogP2.22
Rot. Bonds1

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

6-methyl-2-propan-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazole (PubChem CID 118124518) has the molecular formula C8H11N3S and a molecular weight of 181.26 g/mol. Its IUPAC name is 6-methyl-2-propan-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazole.

Molecular Properties

Compound Name6-methyl-2-propan-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazole
PubChem CID118124518
Molecular FormulaC8H11N3S
Molecular Weight181.26 g/mol
Exact Mass181.07
IUPAC Name6-methyl-2-propan-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazole
SMILESCc1csc2nc(C(C)C)nn12
InChIInChI=1S/C8H11N3S/c1-5(2)7-9-8-11(10-7)6(3)4-12-8/h4-5H,1-3H3
InChIKeyMASIJZPZFOJSHM-UHFFFAOYSA-N
XLogP2.22
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.26
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-propan-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazole?
The IUPAC name of 6-methyl-2-propan-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazole (CID 118124518) is 6-methyl-2-propan-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazole.
What is the SMILES notation for 6-methyl-2-propan-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazole?
The canonical SMILES for 6-methyl-2-propan-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazole is Cc1csc2nc(C(C)C)nn12.
What is the InChIKey of 6-methyl-2-propan-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazole?
The InChIKey is MASIJZPZFOJSHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3S/c1-5(2)7-9-8-11(10-7)6(3)4-12-8/h4-5H,1-3H3.
What are the key properties of 6-methyl-2-propan-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazole?
6-methyl-2-propan-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazole has a molecular weight of 181.26 g/mol, XLogP of 2.22, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-propan-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazole is sourced from PubChem (CID 118124518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).