4-penta-1,4-dien-2-ylthiadiazole

C7H8N2S — CID 174968038

IUPAC4-penta-1,4-dien-2-ylthiadiazole
SMILESC=CCC(=C)c1csnn1
InChIInChI=1S/C7H8N2S/c1-3-4-6(2)7-5-10-9-8-7/h3,5H,1-2,4H2
InChIKeyUETJMANFOJZRJH-UHFFFAOYSA-N
MW152.22 g/mol
LogP2.13
Rot. Bonds3

About 4-penta-1,4-dien-2-ylthiadiazole

4-penta-1,4-dien-2-ylthiadiazole (PubChem CID 174968038) has the molecular formula C7H8N2S and a molecular weight of 152.22 g/mol. Its IUPAC name is 4-penta-1,4-dien-2-ylthiadiazole.

Molecular Properties

Compound Name4-penta-1,4-dien-2-ylthiadiazole
PubChem CID174968038
Molecular FormulaC7H8N2S
Molecular Weight152.22 g/mol
Exact Mass152.04
IUPAC Name4-penta-1,4-dien-2-ylthiadiazole
SMILESC=CCC(=C)c1csnn1
InChIInChI=1S/C7H8N2S/c1-3-4-6(2)7-5-10-9-8-7/h3,5H,1-2,4H2
InChIKeyUETJMANFOJZRJH-UHFFFAOYSA-N
XLogP2.13
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.22
LogP ≤ 52.13
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-penta-1,4-dien-2-ylthiadiazole?
The IUPAC name of 4-penta-1,4-dien-2-ylthiadiazole (CID 174968038) is 4-penta-1,4-dien-2-ylthiadiazole.
What is the SMILES notation for 4-penta-1,4-dien-2-ylthiadiazole?
The canonical SMILES for 4-penta-1,4-dien-2-ylthiadiazole is C=CCC(=C)c1csnn1.
What is the InChIKey of 4-penta-1,4-dien-2-ylthiadiazole?
The InChIKey is UETJMANFOJZRJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2S/c1-3-4-6(2)7-5-10-9-8-7/h3,5H,1-2,4H2.
What are the key properties of 4-penta-1,4-dien-2-ylthiadiazole?
4-penta-1,4-dien-2-ylthiadiazole has a molecular weight of 152.22 g/mol, XLogP of 2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-penta-1,4-dien-2-ylthiadiazole is sourced from PubChem (CID 174968038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).