1-(5-methyl-1,2,4-thiadiazol-3-yl)propan-1-one

C6H8N2OS — CID 142391640

IUPAC1-(5-methyl-1,2,4-thiadiazol-3-yl)propan-1-one
SMILESCCC(=O)c1nsc(C)n1
InChIInChI=1S/C6H8N2OS/c1-3-5(9)6-7-4(2)10-8-6/h3H2,1-2H3
InChIKeyZSHQYWHCQVJNCU-UHFFFAOYSA-N
MW156.21 g/mol
LogP1.44
Rot. Bonds2

About 1-(5-methyl-1,2,4-thiadiazol-3-yl)propan-1-one

1-(5-methyl-1,2,4-thiadiazol-3-yl)propan-1-one (PubChem CID 142391640) has the molecular formula C6H8N2OS and a molecular weight of 156.21 g/mol. Its IUPAC name is 1-(5-methyl-1,2,4-thiadiazol-3-yl)propan-1-one.

Molecular Properties

Compound Name1-(5-methyl-1,2,4-thiadiazol-3-yl)propan-1-one
PubChem CID142391640
Molecular FormulaC6H8N2OS
Molecular Weight156.21 g/mol
Exact Mass156.04
IUPAC Name1-(5-methyl-1,2,4-thiadiazol-3-yl)propan-1-one
SMILESCCC(=O)c1nsc(C)n1
InChIInChI=1S/C6H8N2OS/c1-3-5(9)6-7-4(2)10-8-6/h3H2,1-2H3
InChIKeyZSHQYWHCQVJNCU-UHFFFAOYSA-N
XLogP1.44
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.21
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1,2,4-thiadiazol-3-yl)propan-1-one?
The IUPAC name of 1-(5-methyl-1,2,4-thiadiazol-3-yl)propan-1-one (CID 142391640) is 1-(5-methyl-1,2,4-thiadiazol-3-yl)propan-1-one.
What is the SMILES notation for 1-(5-methyl-1,2,4-thiadiazol-3-yl)propan-1-one?
The canonical SMILES for 1-(5-methyl-1,2,4-thiadiazol-3-yl)propan-1-one is CCC(=O)c1nsc(C)n1.
What is the InChIKey of 1-(5-methyl-1,2,4-thiadiazol-3-yl)propan-1-one?
The InChIKey is ZSHQYWHCQVJNCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2OS/c1-3-5(9)6-7-4(2)10-8-6/h3H2,1-2H3.
What are the key properties of 1-(5-methyl-1,2,4-thiadiazol-3-yl)propan-1-one?
1-(5-methyl-1,2,4-thiadiazol-3-yl)propan-1-one has a molecular weight of 156.21 g/mol, XLogP of 1.44, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1,2,4-thiadiazol-3-yl)propan-1-one is sourced from PubChem (CID 142391640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).