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

C8H12N2OS — CID 126954292

IUPAC5-(1-cyclopropylethoxy)-3-methyl-1,2,4-thiadiazole
SMILESCc1nsc(OC(C)C2CC2)n1
InChIInChI=1S/C8H12N2OS/c1-5(7-3-4-7)11-8-9-6(2)10-12-8/h5,7H,3-4H2,1-2H3
InChIKeyFPWMGOVQZKCOIC-UHFFFAOYSA-N
MW184.26 g/mol
LogP2.02
Rot. Bonds3

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

5-(1-cyclopropylethoxy)-3-methyl-1,2,4-thiadiazole (PubChem CID 126954292) has the molecular formula C8H12N2OS and a molecular weight of 184.26 g/mol. Its IUPAC name is 5-(1-cyclopropylethoxy)-3-methyl-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-(1-cyclopropylethoxy)-3-methyl-1,2,4-thiadiazole
PubChem CID126954292
Molecular FormulaC8H12N2OS
Molecular Weight184.26 g/mol
Exact Mass184.07
IUPAC Name5-(1-cyclopropylethoxy)-3-methyl-1,2,4-thiadiazole
SMILESCc1nsc(OC(C)C2CC2)n1
InChIInChI=1S/C8H12N2OS/c1-5(7-3-4-7)11-8-9-6(2)10-12-8/h5,7H,3-4H2,1-2H3
InChIKeyFPWMGOVQZKCOIC-UHFFFAOYSA-N
XLogP2.02
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(1-cyclopropylethoxy)-3-methyl-1,2,4-thiadiazole?
The IUPAC name of 5-(1-cyclopropylethoxy)-3-methyl-1,2,4-thiadiazole (CID 126954292) is 5-(1-cyclopropylethoxy)-3-methyl-1,2,4-thiadiazole.
What is the SMILES notation for 5-(1-cyclopropylethoxy)-3-methyl-1,2,4-thiadiazole?
The canonical SMILES for 5-(1-cyclopropylethoxy)-3-methyl-1,2,4-thiadiazole is Cc1nsc(OC(C)C2CC2)n1.
What is the InChIKey of 5-(1-cyclopropylethoxy)-3-methyl-1,2,4-thiadiazole?
The InChIKey is FPWMGOVQZKCOIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2OS/c1-5(7-3-4-7)11-8-9-6(2)10-12-8/h5,7H,3-4H2,1-2H3.
What are the key properties of 5-(1-cyclopropylethoxy)-3-methyl-1,2,4-thiadiazole?
5-(1-cyclopropylethoxy)-3-methyl-1,2,4-thiadiazole has a molecular weight of 184.26 g/mol, XLogP of 2.02, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-cyclopropylethoxy)-3-methyl-1,2,4-thiadiazole is sourced from PubChem (CID 126954292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).