3-methoxy-5-propan-2-yl-1,2,4-thiadiazole

C6H10N2OS — CID 134442994

IUPAC3-methoxy-5-propan-2-yl-1,2,4-thiadiazole
SMILESCOc1nsc(C(C)C)n1
InChIInChI=1S/C6H10N2OS/c1-4(2)5-7-6(9-3)8-10-5/h4H,1-3H3
InChIKeyMVZWSSJUFFCDLQ-UHFFFAOYSA-N
MW158.23 g/mol
LogP1.67
Rot. Bonds2

About 3-methoxy-5-propan-2-yl-1,2,4-thiadiazole

3-methoxy-5-propan-2-yl-1,2,4-thiadiazole (PubChem CID 134442994) has the molecular formula C6H10N2OS and a molecular weight of 158.23 g/mol. Its IUPAC name is 3-methoxy-5-propan-2-yl-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-methoxy-5-propan-2-yl-1,2,4-thiadiazole
PubChem CID134442994
Molecular FormulaC6H10N2OS
Molecular Weight158.23 g/mol
Exact Mass158.05
IUPAC Name3-methoxy-5-propan-2-yl-1,2,4-thiadiazole
SMILESCOc1nsc(C(C)C)n1
InChIInChI=1S/C6H10N2OS/c1-4(2)5-7-6(9-3)8-10-5/h4H,1-3H3
InChIKeyMVZWSSJUFFCDLQ-UHFFFAOYSA-N
XLogP1.67
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.23
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-5-propan-2-yl-1,2,4-thiadiazole?
The IUPAC name of 3-methoxy-5-propan-2-yl-1,2,4-thiadiazole (CID 134442994) is 3-methoxy-5-propan-2-yl-1,2,4-thiadiazole.
What is the SMILES notation for 3-methoxy-5-propan-2-yl-1,2,4-thiadiazole?
The canonical SMILES for 3-methoxy-5-propan-2-yl-1,2,4-thiadiazole is COc1nsc(C(C)C)n1.
What is the InChIKey of 3-methoxy-5-propan-2-yl-1,2,4-thiadiazole?
The InChIKey is MVZWSSJUFFCDLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2OS/c1-4(2)5-7-6(9-3)8-10-5/h4H,1-3H3.
What are the key properties of 3-methoxy-5-propan-2-yl-1,2,4-thiadiazole?
3-methoxy-5-propan-2-yl-1,2,4-thiadiazole has a molecular weight of 158.23 g/mol, XLogP of 1.67, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-5-propan-2-yl-1,2,4-thiadiazole is sourced from PubChem (CID 134442994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).