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

C7H12N2OS — CID 155742688

IUPAC3-methyl-5-(2-methylpropoxy)-1,2,4-thiadiazole
SMILESCc1nsc(OCC(C)C)n1
InChIInChI=1S/C7H12N2OS/c1-5(2)4-10-7-8-6(3)9-11-7/h5H,4H2,1-3H3
InChIKeyCAFDWQUJCXXHAQ-UHFFFAOYSA-N
MW172.25 g/mol
LogP1.88
Rot. Bonds3

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

3-methyl-5-(2-methylpropoxy)-1,2,4-thiadiazole (PubChem CID 155742688) has the molecular formula C7H12N2OS and a molecular weight of 172.25 g/mol. Its IUPAC name is 3-methyl-5-(2-methylpropoxy)-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-methyl-5-(2-methylpropoxy)-1,2,4-thiadiazole
PubChem CID155742688
Molecular FormulaC7H12N2OS
Molecular Weight172.25 g/mol
Exact Mass172.07
IUPAC Name3-methyl-5-(2-methylpropoxy)-1,2,4-thiadiazole
SMILESCc1nsc(OCC(C)C)n1
InChIInChI=1S/C7H12N2OS/c1-5(2)4-10-7-8-6(3)9-11-7/h5H,4H2,1-3H3
InChIKeyCAFDWQUJCXXHAQ-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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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(2-methylpropoxy)-1,2,4-thiadiazole?
The IUPAC name of 3-methyl-5-(2-methylpropoxy)-1,2,4-thiadiazole (CID 155742688) is 3-methyl-5-(2-methylpropoxy)-1,2,4-thiadiazole.
What is the SMILES notation for 3-methyl-5-(2-methylpropoxy)-1,2,4-thiadiazole?
The canonical SMILES for 3-methyl-5-(2-methylpropoxy)-1,2,4-thiadiazole is Cc1nsc(OCC(C)C)n1.
What is the InChIKey of 3-methyl-5-(2-methylpropoxy)-1,2,4-thiadiazole?
The InChIKey is CAFDWQUJCXXHAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2OS/c1-5(2)4-10-7-8-6(3)9-11-7/h5H,4H2,1-3H3.
What are the key properties of 3-methyl-5-(2-methylpropoxy)-1,2,4-thiadiazole?
3-methyl-5-(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 3-methyl-5-(2-methylpropoxy)-1,2,4-thiadiazole is sourced from PubChem (CID 155742688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).