4-ethenyl-4,5-dihydro-1,3-thiazole

C5H7NS — CID 141002309

IUPAC4-ethenyl-4,5-dihydro-1,3-thiazole
SMILESC=CC1CSC=N1
InChIInChI=1S/C5H7NS/c1-2-5-3-7-4-6-5/h2,4-5H,1,3H2
InChIKeySBGUBWZULVHVDR-UHFFFAOYSA-N
MW113.18 g/mol
LogP1.32
Rot. Bonds1

About 4-ethenyl-4,5-dihydro-1,3-thiazole

4-ethenyl-4,5-dihydro-1,3-thiazole (PubChem CID 141002309) has the molecular formula C5H7NS and a molecular weight of 113.18 g/mol. Its IUPAC name is 4-ethenyl-4,5-dihydro-1,3-thiazole.

Molecular Properties

Compound Name4-ethenyl-4,5-dihydro-1,3-thiazole
PubChem CID141002309
Molecular FormulaC5H7NS
Molecular Weight113.18 g/mol
Exact Mass113.03
IUPAC Name4-ethenyl-4,5-dihydro-1,3-thiazole
SMILESC=CC1CSC=N1
InChIInChI=1S/C5H7NS/c1-2-5-3-7-4-6-5/h2,4-5H,1,3H2
InChIKeySBGUBWZULVHVDR-UHFFFAOYSA-N
XLogP1.32
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.18
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-ethenyl-4,5-dihydro-1,3-thiazole?
The IUPAC name of 4-ethenyl-4,5-dihydro-1,3-thiazole (CID 141002309) is 4-ethenyl-4,5-dihydro-1,3-thiazole.
What is the SMILES notation for 4-ethenyl-4,5-dihydro-1,3-thiazole?
The canonical SMILES for 4-ethenyl-4,5-dihydro-1,3-thiazole is C=CC1CSC=N1.
What is the InChIKey of 4-ethenyl-4,5-dihydro-1,3-thiazole?
The InChIKey is SBGUBWZULVHVDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NS/c1-2-5-3-7-4-6-5/h2,4-5H,1,3H2.
What are the key properties of 4-ethenyl-4,5-dihydro-1,3-thiazole?
4-ethenyl-4,5-dihydro-1,3-thiazole has a molecular weight of 113.18 g/mol, XLogP of 1.32, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-4,5-dihydro-1,3-thiazole is sourced from PubChem (CID 141002309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).