4-prop-2-enylthiadiazole

C5H6N2S — CID 54454030

IUPAC4-prop-2-enylthiadiazole
SMILESC=CCc1csnn1
InChIInChI=1S/C5H6N2S/c1-2-3-5-4-8-7-6-5/h2,4H,1,3H2
InChIKeyHDZNKACCUGJLTC-UHFFFAOYSA-N
MW126.18 g/mol
LogP1.27
Rot. Bonds2

About 4-prop-2-enylthiadiazole

4-prop-2-enylthiadiazole (PubChem CID 54454030) has the molecular formula C5H6N2S and a molecular weight of 126.18 g/mol. Its IUPAC name is 4-prop-2-enylthiadiazole.

Molecular Properties

Compound Name4-prop-2-enylthiadiazole
PubChem CID54454030
Molecular FormulaC5H6N2S
Molecular Weight126.18 g/mol
Exact Mass126.03
IUPAC Name4-prop-2-enylthiadiazole
SMILESC=CCc1csnn1
InChIInChI=1S/C5H6N2S/c1-2-3-5-4-8-7-6-5/h2,4H,1,3H2
InChIKeyHDZNKACCUGJLTC-UHFFFAOYSA-N
XLogP1.27
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.18
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-prop-2-enylthiadiazole?
The IUPAC name of 4-prop-2-enylthiadiazole (CID 54454030) is 4-prop-2-enylthiadiazole.
What is the SMILES notation for 4-prop-2-enylthiadiazole?
The canonical SMILES for 4-prop-2-enylthiadiazole is C=CCc1csnn1.
What is the InChIKey of 4-prop-2-enylthiadiazole?
The InChIKey is HDZNKACCUGJLTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2S/c1-2-3-5-4-8-7-6-5/h2,4H,1,3H2.
What are the key properties of 4-prop-2-enylthiadiazole?
4-prop-2-enylthiadiazole has a molecular weight of 126.18 g/mol, XLogP of 1.27, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-prop-2-enylthiadiazole is sourced from PubChem (CID 54454030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).