3-prop-1-en-2-yl-1,2,4-thiadiazole

C5H6N2S — CID 156515761

IUPAC3-prop-1-en-2-yl-1,2,4-thiadiazole
SMILESC=C(C)c1ncsn1
InChIInChI=1S/C5H6N2S/c1-4(2)5-6-3-8-7-5/h3H,1H2,2H3
InChIKeyREAOSBNDMXBPHE-UHFFFAOYSA-N
MW126.18 g/mol
LogP1.57
Rot. Bonds1

About 3-prop-1-en-2-yl-1,2,4-thiadiazole

3-prop-1-en-2-yl-1,2,4-thiadiazole (PubChem CID 156515761) has the molecular formula C5H6N2S and a molecular weight of 126.18 g/mol. Its IUPAC name is 3-prop-1-en-2-yl-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-prop-1-en-2-yl-1,2,4-thiadiazole
PubChem CID156515761
Molecular FormulaC5H6N2S
Molecular Weight126.18 g/mol
Exact Mass126.03
IUPAC Name3-prop-1-en-2-yl-1,2,4-thiadiazole
SMILESC=C(C)c1ncsn1
InChIInChI=1S/C5H6N2S/c1-4(2)5-6-3-8-7-5/h3H,1H2,2H3
InChIKeyREAOSBNDMXBPHE-UHFFFAOYSA-N
XLogP1.57
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.18
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-prop-1-en-2-yl-1,2,4-thiadiazole?
The IUPAC name of 3-prop-1-en-2-yl-1,2,4-thiadiazole (CID 156515761) is 3-prop-1-en-2-yl-1,2,4-thiadiazole.
What is the SMILES notation for 3-prop-1-en-2-yl-1,2,4-thiadiazole?
The canonical SMILES for 3-prop-1-en-2-yl-1,2,4-thiadiazole is C=C(C)c1ncsn1.
What is the InChIKey of 3-prop-1-en-2-yl-1,2,4-thiadiazole?
The InChIKey is REAOSBNDMXBPHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2S/c1-4(2)5-6-3-8-7-5/h3H,1H2,2H3.
What are the key properties of 3-prop-1-en-2-yl-1,2,4-thiadiazole?
3-prop-1-en-2-yl-1,2,4-thiadiazole has a molecular weight of 126.18 g/mol, XLogP of 1.57, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-1-en-2-yl-1,2,4-thiadiazole is sourced from PubChem (CID 156515761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).