3-ethenyl-2,4-dihydro-1,3-thiazol-4-ide 1-oxide

C5H6NOS- — CID 154508891

IUPAC3-ethenyl-2,4-dihydro-1,3-thiazol-4-ide 1-oxide
SMILESC=CN1[C-]=CS(=O)C1
InChIInChI=1S/C5H6NOS/c1-2-6-3-4-8(7)5-6/h2,4H,1,5H2/q-1
InChIKeyNOISTXYYPJHDGV-UHFFFAOYSA-N
MW128.18 g/mol
LogP0.43
Rot. Bonds1

About 3-ethenyl-2,4-dihydro-1,3-thiazol-4-ide 1-oxide

3-ethenyl-2,4-dihydro-1,3-thiazol-4-ide 1-oxide (PubChem CID 154508891) has the molecular formula C5H6NOS- and a molecular weight of 128.18 g/mol. Its IUPAC name is 3-ethenyl-2,4-dihydro-1,3-thiazol-4-ide 1-oxide.

Molecular Properties

Compound Name3-ethenyl-2,4-dihydro-1,3-thiazol-4-ide 1-oxide
PubChem CID154508891
Molecular FormulaC5H6NOS-
Molecular Weight128.18 g/mol
Exact Mass128.02
IUPAC Name3-ethenyl-2,4-dihydro-1,3-thiazol-4-ide 1-oxide
SMILESC=CN1[C-]=CS(=O)C1
InChIInChI=1S/C5H6NOS/c1-2-6-3-4-8(7)5-6/h2,4H,1,5H2/q-1
InChIKeyNOISTXYYPJHDGV-UHFFFAOYSA-N
XLogP0.43
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.18
LogP ≤ 50.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-2,4-dihydro-1,3-thiazol-4-ide 1-oxide?
The IUPAC name of 3-ethenyl-2,4-dihydro-1,3-thiazol-4-ide 1-oxide (CID 154508891) is 3-ethenyl-2,4-dihydro-1,3-thiazol-4-ide 1-oxide.
What is the SMILES notation for 3-ethenyl-2,4-dihydro-1,3-thiazol-4-ide 1-oxide?
The canonical SMILES for 3-ethenyl-2,4-dihydro-1,3-thiazol-4-ide 1-oxide is C=CN1[C-]=CS(=O)C1.
What is the InChIKey of 3-ethenyl-2,4-dihydro-1,3-thiazol-4-ide 1-oxide?
The InChIKey is NOISTXYYPJHDGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6NOS/c1-2-6-3-4-8(7)5-6/h2,4H,1,5H2/q-1.
What are the key properties of 3-ethenyl-2,4-dihydro-1,3-thiazol-4-ide 1-oxide?
3-ethenyl-2,4-dihydro-1,3-thiazol-4-ide 1-oxide has a molecular weight of 128.18 g/mol, XLogP of 0.43, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-2,4-dihydro-1,3-thiazol-4-ide 1-oxide is sourced from PubChem (CID 154508891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).