2-[(Z)-2-(4-nitrophenyl)ethenyl]-4,5-dihydro-1,3-thiazole

C11H10N2O2S — CID 6474284

IUPAC2-[(Z)-2-(4-nitrophenyl)ethenyl]-4,5-dihydro-1,3-thiazole
SMILESO=[N+]([O-])c1ccc(/C=C\C2=NCCS2)cc1
InChIInChI=1S/C11H10N2O2S/c14-13(15)10-4-1-9(2-5-10)3-6-11-12-7-8-16-11/h1-6H,7-8H2/b6-3-
InChIKeyIWXVUNKACYSRET-UTCJRWHESA-N
MW234.28 g/mol
LogP2.75
Rot. Bonds3

About 2-[(Z)-2-(4-nitrophenyl)ethenyl]-4,5-dihydro-1,3-thiazole

2-[(Z)-2-(4-nitrophenyl)ethenyl]-4,5-dihydro-1,3-thiazole (PubChem CID 6474284) has the molecular formula C11H10N2O2S and a molecular weight of 234.28 g/mol. Its IUPAC name is 2-[(Z)-2-(4-nitrophenyl)ethenyl]-4,5-dihydro-1,3-thiazole.

Molecular Properties

Compound Name2-[(Z)-2-(4-nitrophenyl)ethenyl]-4,5-dihydro-1,3-thiazole
PubChem CID6474284
Molecular FormulaC11H10N2O2S
Molecular Weight234.28 g/mol
Exact Mass234.05
IUPAC Name2-[(Z)-2-(4-nitrophenyl)ethenyl]-4,5-dihydro-1,3-thiazole
SMILESO=[N+]([O-])c1ccc(/C=C\C2=NCCS2)cc1
InChIInChI=1S/C11H10N2O2S/c14-13(15)10-4-1-9(2-5-10)3-6-11-12-7-8-16-11/h1-6H,7-8H2/b6-3-
InChIKeyIWXVUNKACYSRET-UTCJRWHESA-N
XLogP2.75
TPSA55.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-2-(4-nitrophenyl)ethenyl]-4,5-dihydro-1,3-thiazole?
The IUPAC name of 2-[(Z)-2-(4-nitrophenyl)ethenyl]-4,5-dihydro-1,3-thiazole (CID 6474284) is 2-[(Z)-2-(4-nitrophenyl)ethenyl]-4,5-dihydro-1,3-thiazole.
What is the SMILES notation for 2-[(Z)-2-(4-nitrophenyl)ethenyl]-4,5-dihydro-1,3-thiazole?
The canonical SMILES for 2-[(Z)-2-(4-nitrophenyl)ethenyl]-4,5-dihydro-1,3-thiazole is O=[N+]([O-])c1ccc(/C=C\C2=NCCS2)cc1.
What is the InChIKey of 2-[(Z)-2-(4-nitrophenyl)ethenyl]-4,5-dihydro-1,3-thiazole?
The InChIKey is IWXVUNKACYSRET-UTCJRWHESA-N. The full InChI is InChI=1S/C11H10N2O2S/c14-13(15)10-4-1-9(2-5-10)3-6-11-12-7-8-16-11/h1-6H,7-8H2/b6-3-.
What are the key properties of 2-[(Z)-2-(4-nitrophenyl)ethenyl]-4,5-dihydro-1,3-thiazole?
2-[(Z)-2-(4-nitrophenyl)ethenyl]-4,5-dihydro-1,3-thiazole has a molecular weight of 234.28 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-2-(4-nitrophenyl)ethenyl]-4,5-dihydro-1,3-thiazole is sourced from PubChem (CID 6474284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).