2-[(5-methoxy-2-methylphenyl)methyl]-5-propan-2-yl-1,3-thiazol-4-one

C15H19NO2S — CID 58048285

IUPAC2-[(5-methoxy-2-methylphenyl)methyl]-5-propan-2-yl-1,3-thiazol-4-one
SMILESCOc1ccc(C)c(CC2=NC(=O)C(C(C)C)S2)c1
InChIInChI=1S/C15H19NO2S/c1-9(2)14-15(17)16-13(19-14)8-11-7-12(18-4)6-5-10(11)3/h5-7,9,14H,8H2,1-4H3
InChIKeyYUZVJCADDXHLPJ-UHFFFAOYSA-N
MW277.39 g/mol
LogP3.24
Rot. Bonds4

About 2-[(5-methoxy-2-methylphenyl)methyl]-5-propan-2-yl-1,3-thiazol-4-one

2-[(5-methoxy-2-methylphenyl)methyl]-5-propan-2-yl-1,3-thiazol-4-one (PubChem CID 58048285) has the molecular formula C15H19NO2S and a molecular weight of 277.39 g/mol. Its IUPAC name is 2-[(5-methoxy-2-methylphenyl)methyl]-5-propan-2-yl-1,3-thiazol-4-one.

Molecular Properties

Compound Name2-[(5-methoxy-2-methylphenyl)methyl]-5-propan-2-yl-1,3-thiazol-4-one
PubChem CID58048285
Molecular FormulaC15H19NO2S
Molecular Weight277.39 g/mol
Exact Mass277.11
IUPAC Name2-[(5-methoxy-2-methylphenyl)methyl]-5-propan-2-yl-1,3-thiazol-4-one
SMILESCOc1ccc(C)c(CC2=NC(=O)C(C(C)C)S2)c1
InChIInChI=1S/C15H19NO2S/c1-9(2)14-15(17)16-13(19-14)8-11-7-12(18-4)6-5-10(11)3/h5-7,9,14H,8H2,1-4H3
InChIKeyYUZVJCADDXHLPJ-UHFFFAOYSA-N
XLogP3.24
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-methoxy-2-methylphenyl)methyl]-5-propan-2-yl-1,3-thiazol-4-one?
The IUPAC name of 2-[(5-methoxy-2-methylphenyl)methyl]-5-propan-2-yl-1,3-thiazol-4-one (CID 58048285) is 2-[(5-methoxy-2-methylphenyl)methyl]-5-propan-2-yl-1,3-thiazol-4-one.
What is the SMILES notation for 2-[(5-methoxy-2-methylphenyl)methyl]-5-propan-2-yl-1,3-thiazol-4-one?
The canonical SMILES for 2-[(5-methoxy-2-methylphenyl)methyl]-5-propan-2-yl-1,3-thiazol-4-one is COc1ccc(C)c(CC2=NC(=O)C(C(C)C)S2)c1.
What is the InChIKey of 2-[(5-methoxy-2-methylphenyl)methyl]-5-propan-2-yl-1,3-thiazol-4-one?
The InChIKey is YUZVJCADDXHLPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2S/c1-9(2)14-15(17)16-13(19-14)8-11-7-12(18-4)6-5-10(11)3/h5-7,9,14H,8H2,1-4H3.
What are the key properties of 2-[(5-methoxy-2-methylphenyl)methyl]-5-propan-2-yl-1,3-thiazol-4-one?
2-[(5-methoxy-2-methylphenyl)methyl]-5-propan-2-yl-1,3-thiazol-4-one has a molecular weight of 277.39 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methoxy-2-methylphenyl)methyl]-5-propan-2-yl-1,3-thiazol-4-one is sourced from PubChem (CID 58048285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).