4-methyl-2-prop-2-enoxy-1,3-thiazole

C7H9NOS — CID 126954615

IUPAC4-methyl-2-prop-2-enoxy-1,3-thiazole
SMILESC=CCOc1nc(C)cs1
InChIInChI=1S/C7H9NOS/c1-3-4-9-7-8-6(2)5-10-7/h3,5H,1,4H2,2H3
InChIKeyYMFHQXHKMRZWEL-UHFFFAOYSA-N
MW155.22 g/mol
LogP2.02
Rot. Bonds3

About 4-methyl-2-prop-2-enoxy-1,3-thiazole

4-methyl-2-prop-2-enoxy-1,3-thiazole (PubChem CID 126954615) has the molecular formula C7H9NOS and a molecular weight of 155.22 g/mol. Its IUPAC name is 4-methyl-2-prop-2-enoxy-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-2-prop-2-enoxy-1,3-thiazole
PubChem CID126954615
Molecular FormulaC7H9NOS
Molecular Weight155.22 g/mol
Exact Mass155.04
IUPAC Name4-methyl-2-prop-2-enoxy-1,3-thiazole
SMILESC=CCOc1nc(C)cs1
InChIInChI=1S/C7H9NOS/c1-3-4-9-7-8-6(2)5-10-7/h3,5H,1,4H2,2H3
InChIKeyYMFHQXHKMRZWEL-UHFFFAOYSA-N
XLogP2.02
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.22
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-methyl-2-prop-2-enoxy-1,3-thiazole?
The IUPAC name of 4-methyl-2-prop-2-enoxy-1,3-thiazole (CID 126954615) is 4-methyl-2-prop-2-enoxy-1,3-thiazole.
What is the SMILES notation for 4-methyl-2-prop-2-enoxy-1,3-thiazole?
The canonical SMILES for 4-methyl-2-prop-2-enoxy-1,3-thiazole is C=CCOc1nc(C)cs1.
What is the InChIKey of 4-methyl-2-prop-2-enoxy-1,3-thiazole?
The InChIKey is YMFHQXHKMRZWEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NOS/c1-3-4-9-7-8-6(2)5-10-7/h3,5H,1,4H2,2H3.
What are the key properties of 4-methyl-2-prop-2-enoxy-1,3-thiazole?
4-methyl-2-prop-2-enoxy-1,3-thiazole has a molecular weight of 155.22 g/mol, XLogP of 2.02, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-prop-2-enoxy-1,3-thiazole is sourced from PubChem (CID 126954615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).