3-(2-methoxypropan-2-yl)-5-methyl-1,2,4-thiadiazole

C7H12N2OS — CID 90400203

IUPAC3-(2-methoxypropan-2-yl)-5-methyl-1,2,4-thiadiazole
SMILESCOC(C)(C)c1nsc(C)n1
InChIInChI=1S/C7H12N2OS/c1-5-8-6(9-11-5)7(2,3)10-4/h1-4H3
InChIKeyPPVZRYZTEVVTJM-UHFFFAOYSA-N
MW172.25 g/mol
LogP1.73
Rot. Bonds2

About 3-(2-methoxypropan-2-yl)-5-methyl-1,2,4-thiadiazole

3-(2-methoxypropan-2-yl)-5-methyl-1,2,4-thiadiazole (PubChem CID 90400203) has the molecular formula C7H12N2OS and a molecular weight of 172.25 g/mol. Its IUPAC name is 3-(2-methoxypropan-2-yl)-5-methyl-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-(2-methoxypropan-2-yl)-5-methyl-1,2,4-thiadiazole
PubChem CID90400203
Molecular FormulaC7H12N2OS
Molecular Weight172.25 g/mol
Exact Mass172.07
IUPAC Name3-(2-methoxypropan-2-yl)-5-methyl-1,2,4-thiadiazole
SMILESCOC(C)(C)c1nsc(C)n1
InChIInChI=1S/C7H12N2OS/c1-5-8-6(9-11-5)7(2,3)10-4/h1-4H3
InChIKeyPPVZRYZTEVVTJM-UHFFFAOYSA-N
XLogP1.73
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.25
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxypropan-2-yl)-5-methyl-1,2,4-thiadiazole?
The IUPAC name of 3-(2-methoxypropan-2-yl)-5-methyl-1,2,4-thiadiazole (CID 90400203) is 3-(2-methoxypropan-2-yl)-5-methyl-1,2,4-thiadiazole.
What is the SMILES notation for 3-(2-methoxypropan-2-yl)-5-methyl-1,2,4-thiadiazole?
The canonical SMILES for 3-(2-methoxypropan-2-yl)-5-methyl-1,2,4-thiadiazole is COC(C)(C)c1nsc(C)n1.
What is the InChIKey of 3-(2-methoxypropan-2-yl)-5-methyl-1,2,4-thiadiazole?
The InChIKey is PPVZRYZTEVVTJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2OS/c1-5-8-6(9-11-5)7(2,3)10-4/h1-4H3.
What are the key properties of 3-(2-methoxypropan-2-yl)-5-methyl-1,2,4-thiadiazole?
3-(2-methoxypropan-2-yl)-5-methyl-1,2,4-thiadiazole has a molecular weight of 172.25 g/mol, XLogP of 1.73, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxypropan-2-yl)-5-methyl-1,2,4-thiadiazole is sourced from PubChem (CID 90400203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).