4-ethenyl-5-(1-methoxyethenyl)-2-methyl-1,3-thiazole

C9H11NOS — CID 123538949

IUPAC4-ethenyl-5-(1-methoxyethenyl)-2-methyl-1,3-thiazole
SMILESC=Cc1nc(C)sc1C(=C)OC
InChIInChI=1S/C9H11NOS/c1-5-8-9(6(2)11-4)12-7(3)10-8/h5H,1-2H2,3-4H3
InChIKeyVCPWEBLNTJTJCR-UHFFFAOYSA-N
MW181.26 g/mol
LogP2.71
Rot. Bonds3

About 4-ethenyl-5-(1-methoxyethenyl)-2-methyl-1,3-thiazole

4-ethenyl-5-(1-methoxyethenyl)-2-methyl-1,3-thiazole (PubChem CID 123538949) has the molecular formula C9H11NOS and a molecular weight of 181.26 g/mol. Its IUPAC name is 4-ethenyl-5-(1-methoxyethenyl)-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-ethenyl-5-(1-methoxyethenyl)-2-methyl-1,3-thiazole
PubChem CID123538949
Molecular FormulaC9H11NOS
Molecular Weight181.26 g/mol
Exact Mass181.06
IUPAC Name4-ethenyl-5-(1-methoxyethenyl)-2-methyl-1,3-thiazole
SMILESC=Cc1nc(C)sc1C(=C)OC
InChIInChI=1S/C9H11NOS/c1-5-8-9(6(2)11-4)12-7(3)10-8/h5H,1-2H2,3-4H3
InChIKeyVCPWEBLNTJTJCR-UHFFFAOYSA-N
XLogP2.71
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 ≤ 52.71
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 4-ethenyl-5-(1-methoxyethenyl)-2-methyl-1,3-thiazole?
The IUPAC name of 4-ethenyl-5-(1-methoxyethenyl)-2-methyl-1,3-thiazole (CID 123538949) is 4-ethenyl-5-(1-methoxyethenyl)-2-methyl-1,3-thiazole.
What is the SMILES notation for 4-ethenyl-5-(1-methoxyethenyl)-2-methyl-1,3-thiazole?
The canonical SMILES for 4-ethenyl-5-(1-methoxyethenyl)-2-methyl-1,3-thiazole is C=Cc1nc(C)sc1C(=C)OC.
What is the InChIKey of 4-ethenyl-5-(1-methoxyethenyl)-2-methyl-1,3-thiazole?
The InChIKey is VCPWEBLNTJTJCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NOS/c1-5-8-9(6(2)11-4)12-7(3)10-8/h5H,1-2H2,3-4H3.
What are the key properties of 4-ethenyl-5-(1-methoxyethenyl)-2-methyl-1,3-thiazole?
4-ethenyl-5-(1-methoxyethenyl)-2-methyl-1,3-thiazole has a molecular weight of 181.26 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-5-(1-methoxyethenyl)-2-methyl-1,3-thiazole is sourced from PubChem (CID 123538949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).