5-methyl-3-(2-methylpropoxy)-1,2,4-thiadiazole

C7H12N2OS — CID 155742643

IUPAC5-methyl-3-(2-methylpropoxy)-1,2,4-thiadiazole
SMILESCc1nc(OCC(C)C)ns1
InChIInChI=1S/C7H12N2OS/c1-5(2)4-10-7-8-6(3)11-9-7/h5H,4H2,1-3H3
InChIKeyJIWVVEVFTUGVOH-UHFFFAOYSA-N
MW172.25 g/mol
LogP1.88
Rot. Bonds3

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

5-methyl-3-(2-methylpropoxy)-1,2,4-thiadiazole (PubChem CID 155742643) has the molecular formula C7H12N2OS and a molecular weight of 172.25 g/mol. Its IUPAC name is 5-methyl-3-(2-methylpropoxy)-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-methyl-3-(2-methylpropoxy)-1,2,4-thiadiazole
PubChem CID155742643
Molecular FormulaC7H12N2OS
Molecular Weight172.25 g/mol
Exact Mass172.07
IUPAC Name5-methyl-3-(2-methylpropoxy)-1,2,4-thiadiazole
SMILESCc1nc(OCC(C)C)ns1
InChIInChI=1S/C7H12N2OS/c1-5(2)4-10-7-8-6(3)11-9-7/h5H,4H2,1-3H3
InChIKeyJIWVVEVFTUGVOH-UHFFFAOYSA-N
XLogP1.88
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.25
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-Methoxy-5-methyl-1,2,4-thiadiazole
CID 58328470
3-But-2-ynoxy-5-methyl-1,2,4-thiadiazole
CID 59141936
3-But-2-ynoxy-5-ethyl-1,2,4-thiadiazole
CID 90741617
5-Ethyl-3-methoxy-1,2,4-thiadiazole
CID 118152555
5-Methyl-3-prop-2-ynoxy-1,2,4-thiadiazole
CID 118466201
5-Ethoxy-3-methyl-1,2,4-thiadiazole
CID 119096458
3-Methoxy-5-propan-2-yl-1,2,4-thiadiazole
CID 134442994
3-(2-Methoxyethoxy)-5-methyl-1,2,4-thiadiazole
CID 135170701
5-(2-Methoxyethyl)-3-methyl-1,2,4-thiadiazole
CID 142566044
3-(2-Methoxyethyl)-5-methyl-1,2,4-thiadiazole
CID 142566079
5-Tert-butyl-3-methoxy-1,2,4-thiadiazole
CID 146378220
3-Ethoxy-5-methyl-1,2,4-thiadiazole
CID 149349626

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(2-methylpropoxy)-1,2,4-thiadiazole?
The IUPAC name of 5-methyl-3-(2-methylpropoxy)-1,2,4-thiadiazole (CID 155742643) is 5-methyl-3-(2-methylpropoxy)-1,2,4-thiadiazole.
What is the SMILES notation for 5-methyl-3-(2-methylpropoxy)-1,2,4-thiadiazole?
The canonical SMILES for 5-methyl-3-(2-methylpropoxy)-1,2,4-thiadiazole is Cc1nc(OCC(C)C)ns1.
What is the InChIKey of 5-methyl-3-(2-methylpropoxy)-1,2,4-thiadiazole?
The InChIKey is JIWVVEVFTUGVOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2OS/c1-5(2)4-10-7-8-6(3)11-9-7/h5H,4H2,1-3H3.
What are the key properties of 5-methyl-3-(2-methylpropoxy)-1,2,4-thiadiazole?
5-methyl-3-(2-methylpropoxy)-1,2,4-thiadiazole has a molecular weight of 172.25 g/mol, XLogP of 1.88, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(2-methylpropoxy)-1,2,4-thiadiazole is sourced from PubChem (CID 155742643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).