5-methyl-3-prop-1-enyl-1,2,4-thiadiazole

C6H8N2S — CID 91542463

IUPAC5-methyl-3-prop-1-enyl-1,2,4-thiadiazole
SMILESCC=Cc1nsc(C)n1
InChIInChI=1S/C6H8N2S/c1-3-4-6-7-5(2)9-8-6/h3-4H,1-2H3
InChIKeyJNCOQGQABMVYFU-UHFFFAOYSA-N
MW140.21 g/mol
LogP1.88
Rot. Bonds1

About 5-methyl-3-prop-1-enyl-1,2,4-thiadiazole

5-methyl-3-prop-1-enyl-1,2,4-thiadiazole (PubChem CID 91542463) has the molecular formula C6H8N2S and a molecular weight of 140.21 g/mol. Its IUPAC name is 5-methyl-3-prop-1-enyl-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-methyl-3-prop-1-enyl-1,2,4-thiadiazole
PubChem CID91542463
Molecular FormulaC6H8N2S
Molecular Weight140.21 g/mol
Exact Mass140.04
IUPAC Name5-methyl-3-prop-1-enyl-1,2,4-thiadiazole
SMILESCC=Cc1nsc(C)n1
InChIInChI=1S/C6H8N2S/c1-3-4-6-7-5(2)9-8-6/h3-4H,1-2H3
InChIKeyJNCOQGQABMVYFU-UHFFFAOYSA-N
XLogP1.88
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.21
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-prop-1-enyl-1,2,4-thiadiazole?
The IUPAC name of 5-methyl-3-prop-1-enyl-1,2,4-thiadiazole (CID 91542463) is 5-methyl-3-prop-1-enyl-1,2,4-thiadiazole.
What is the SMILES notation for 5-methyl-3-prop-1-enyl-1,2,4-thiadiazole?
The canonical SMILES for 5-methyl-3-prop-1-enyl-1,2,4-thiadiazole is CC=Cc1nsc(C)n1.
What is the InChIKey of 5-methyl-3-prop-1-enyl-1,2,4-thiadiazole?
The InChIKey is JNCOQGQABMVYFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2S/c1-3-4-6-7-5(2)9-8-6/h3-4H,1-2H3.
What are the key properties of 5-methyl-3-prop-1-enyl-1,2,4-thiadiazole?
5-methyl-3-prop-1-enyl-1,2,4-thiadiazole has a molecular weight of 140.21 g/mol, XLogP of 1.88, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-prop-1-enyl-1,2,4-thiadiazole is sourced from PubChem (CID 91542463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).