5-methyl-2-(3-methyl-5-prop-1-en-2-ylphenyl)-1,3-thiazole

C14H15NS — CID 166922343

IUPAC5-methyl-2-(3-methyl-5-prop-1-en-2-ylphenyl)-1,3-thiazole
SMILESC=C(C)c1cc(C)cc(-c2ncc(C)s2)c1
InChIInChI=1S/C14H15NS/c1-9(2)12-5-10(3)6-13(7-12)14-15-8-11(4)16-14/h5-8H,1H2,2-4H3
InChIKeyOFUHJNDMDZJPCW-UHFFFAOYSA-N
MW229.35 g/mol
LogP4.46
Rot. Bonds2

About 5-methyl-2-(3-methyl-5-prop-1-en-2-ylphenyl)-1,3-thiazole

5-methyl-2-(3-methyl-5-prop-1-en-2-ylphenyl)-1,3-thiazole (PubChem CID 166922343) has the molecular formula C14H15NS and a molecular weight of 229.35 g/mol. Its IUPAC name is 5-methyl-2-(3-methyl-5-prop-1-en-2-ylphenyl)-1,3-thiazole.

Molecular Properties

Compound Name5-methyl-2-(3-methyl-5-prop-1-en-2-ylphenyl)-1,3-thiazole
PubChem CID166922343
Molecular FormulaC14H15NS
Molecular Weight229.35 g/mol
Exact Mass229.09
IUPAC Name5-methyl-2-(3-methyl-5-prop-1-en-2-ylphenyl)-1,3-thiazole
SMILESC=C(C)c1cc(C)cc(-c2ncc(C)s2)c1
InChIInChI=1S/C14H15NS/c1-9(2)12-5-10(3)6-13(7-12)14-15-8-11(4)16-14/h5-8H,1H2,2-4H3
InChIKeyOFUHJNDMDZJPCW-UHFFFAOYSA-N
XLogP4.46
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.35
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(3-methyl-5-prop-1-en-2-ylphenyl)-1,3-thiazole?
The IUPAC name of 5-methyl-2-(3-methyl-5-prop-1-en-2-ylphenyl)-1,3-thiazole (CID 166922343) is 5-methyl-2-(3-methyl-5-prop-1-en-2-ylphenyl)-1,3-thiazole.
What is the SMILES notation for 5-methyl-2-(3-methyl-5-prop-1-en-2-ylphenyl)-1,3-thiazole?
The canonical SMILES for 5-methyl-2-(3-methyl-5-prop-1-en-2-ylphenyl)-1,3-thiazole is C=C(C)c1cc(C)cc(-c2ncc(C)s2)c1.
What is the InChIKey of 5-methyl-2-(3-methyl-5-prop-1-en-2-ylphenyl)-1,3-thiazole?
The InChIKey is OFUHJNDMDZJPCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NS/c1-9(2)12-5-10(3)6-13(7-12)14-15-8-11(4)16-14/h5-8H,1H2,2-4H3.
What are the key properties of 5-methyl-2-(3-methyl-5-prop-1-en-2-ylphenyl)-1,3-thiazole?
5-methyl-2-(3-methyl-5-prop-1-en-2-ylphenyl)-1,3-thiazole has a molecular weight of 229.35 g/mol, XLogP of 4.46, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(3-methyl-5-prop-1-en-2-ylphenyl)-1,3-thiazole is sourced from PubChem (CID 166922343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).