4-(2,4-dimethylphenyl)-2-methylidene-3-prop-2-enyl-1,3-thiazole

C15H17NS — CID 123833306

IUPAC4-(2,4-dimethylphenyl)-2-methylidene-3-prop-2-enyl-1,3-thiazole
SMILESC=CCN1C(=C)SC=C1c1ccc(C)cc1C
InChIInChI=1S/C15H17NS/c1-5-8-16-13(4)17-10-15(16)14-7-6-11(2)9-12(14)3/h5-7,9-10H,1,4,8H2,2-3H3
InChIKeyBVGFIOLZAJFKQF-UHFFFAOYSA-N
MW243.37 g/mol
LogP4.31
Rot. Bonds3

About 4-(2,4-dimethylphenyl)-2-methylidene-3-prop-2-enyl-1,3-thiazole

4-(2,4-dimethylphenyl)-2-methylidene-3-prop-2-enyl-1,3-thiazole (PubChem CID 123833306) has the molecular formula C15H17NS and a molecular weight of 243.37 g/mol. Its IUPAC name is 4-(2,4-dimethylphenyl)-2-methylidene-3-prop-2-enyl-1,3-thiazole.

Molecular Properties

Compound Name4-(2,4-dimethylphenyl)-2-methylidene-3-prop-2-enyl-1,3-thiazole
PubChem CID123833306
Molecular FormulaC15H17NS
Molecular Weight243.37 g/mol
Exact Mass243.11
IUPAC Name4-(2,4-dimethylphenyl)-2-methylidene-3-prop-2-enyl-1,3-thiazole
SMILESC=CCN1C(=C)SC=C1c1ccc(C)cc1C
InChIInChI=1S/C15H17NS/c1-5-8-16-13(4)17-10-15(16)14-7-6-11(2)9-12(14)3/h5-7,9-10H,1,4,8H2,2-3H3
InChIKeyBVGFIOLZAJFKQF-UHFFFAOYSA-N
XLogP4.31
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.37
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(2,4-dimethylphenyl)-2-methylidene-3-prop-2-enyl-1,3-thiazole?
The IUPAC name of 4-(2,4-dimethylphenyl)-2-methylidene-3-prop-2-enyl-1,3-thiazole (CID 123833306) is 4-(2,4-dimethylphenyl)-2-methylidene-3-prop-2-enyl-1,3-thiazole.
What is the SMILES notation for 4-(2,4-dimethylphenyl)-2-methylidene-3-prop-2-enyl-1,3-thiazole?
The canonical SMILES for 4-(2,4-dimethylphenyl)-2-methylidene-3-prop-2-enyl-1,3-thiazole is C=CCN1C(=C)SC=C1c1ccc(C)cc1C.
What is the InChIKey of 4-(2,4-dimethylphenyl)-2-methylidene-3-prop-2-enyl-1,3-thiazole?
The InChIKey is BVGFIOLZAJFKQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NS/c1-5-8-16-13(4)17-10-15(16)14-7-6-11(2)9-12(14)3/h5-7,9-10H,1,4,8H2,2-3H3.
What are the key properties of 4-(2,4-dimethylphenyl)-2-methylidene-3-prop-2-enyl-1,3-thiazole?
4-(2,4-dimethylphenyl)-2-methylidene-3-prop-2-enyl-1,3-thiazole has a molecular weight of 243.37 g/mol, XLogP of 4.31, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethylphenyl)-2-methylidene-3-prop-2-enyl-1,3-thiazole is sourced from PubChem (CID 123833306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).