5-ethenyl-2-[(Z)-1-methoxyprop-1-enyl]-1,3-thiazole

C9H11NOS — CID 138976818

IUPAC5-ethenyl-2-[(Z)-1-methoxyprop-1-enyl]-1,3-thiazole
SMILESC=Cc1cnc(/C(=C/C)OC)s1
InChIInChI=1S/C9H11NOS/c1-4-7-6-10-9(12-7)8(5-2)11-3/h4-6H,1H2,2-3H3/b8-5-
InChIKeyMVWAELXSGPHOES-YVMONPNESA-N
MW181.26 g/mol
LogP2.79
Rot. Bonds3

About 5-ethenyl-2-[(Z)-1-methoxyprop-1-enyl]-1,3-thiazole

5-ethenyl-2-[(Z)-1-methoxyprop-1-enyl]-1,3-thiazole (PubChem CID 138976818) has the molecular formula C9H11NOS and a molecular weight of 181.26 g/mol. Its IUPAC name is 5-ethenyl-2-[(Z)-1-methoxyprop-1-enyl]-1,3-thiazole.

Molecular Properties

Compound Name5-ethenyl-2-[(Z)-1-methoxyprop-1-enyl]-1,3-thiazole
PubChem CID138976818
Molecular FormulaC9H11NOS
Molecular Weight181.26 g/mol
Exact Mass181.06
IUPAC Name5-ethenyl-2-[(Z)-1-methoxyprop-1-enyl]-1,3-thiazole
SMILESC=Cc1cnc(/C(=C/C)OC)s1
InChIInChI=1S/C9H11NOS/c1-4-7-6-10-9(12-7)8(5-2)11-3/h4-6H,1H2,2-3H3/b8-5-
InChIKeyMVWAELXSGPHOES-YVMONPNESA-N
XLogP2.79
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.26
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-2-[(Z)-1-methoxyprop-1-enyl]-1,3-thiazole?
The IUPAC name of 5-ethenyl-2-[(Z)-1-methoxyprop-1-enyl]-1,3-thiazole (CID 138976818) is 5-ethenyl-2-[(Z)-1-methoxyprop-1-enyl]-1,3-thiazole.
What is the SMILES notation for 5-ethenyl-2-[(Z)-1-methoxyprop-1-enyl]-1,3-thiazole?
The canonical SMILES for 5-ethenyl-2-[(Z)-1-methoxyprop-1-enyl]-1,3-thiazole is C=Cc1cnc(/C(=C/C)OC)s1.
What is the InChIKey of 5-ethenyl-2-[(Z)-1-methoxyprop-1-enyl]-1,3-thiazole?
The InChIKey is MVWAELXSGPHOES-YVMONPNESA-N. The full InChI is InChI=1S/C9H11NOS/c1-4-7-6-10-9(12-7)8(5-2)11-3/h4-6H,1H2,2-3H3/b8-5-.
What are the key properties of 5-ethenyl-2-[(Z)-1-methoxyprop-1-enyl]-1,3-thiazole?
5-ethenyl-2-[(Z)-1-methoxyprop-1-enyl]-1,3-thiazole has a molecular weight of 181.26 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-2-[(Z)-1-methoxyprop-1-enyl]-1,3-thiazole is sourced from PubChem (CID 138976818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).