1-(4-propan-2-ylphenyl)-3-(1,3-thiazol-2-yl)propan-2-one

C15H17NOS — CID 157253743

IUPAC1-(4-propan-2-ylphenyl)-3-(1,3-thiazol-2-yl)propan-2-one
SMILESCC(C)c1ccc(CC(=O)Cc2nccs2)cc1
InChIInChI=1S/C15H17NOS/c1-11(2)13-5-3-12(4-6-13)9-14(17)10-15-16-7-8-18-15/h3-8,11H,9-10H2,1-2H3
InChIKeyAWQFUMGBZVXQLJ-UHFFFAOYSA-N
MW259.37 g/mol
LogP3.62
Rot. Bonds5

About 1-(4-propan-2-ylphenyl)-3-(1,3-thiazol-2-yl)propan-2-one

1-(4-propan-2-ylphenyl)-3-(1,3-thiazol-2-yl)propan-2-one (PubChem CID 157253743) has the molecular formula C15H17NOS and a molecular weight of 259.37 g/mol. Its IUPAC name is 1-(4-propan-2-ylphenyl)-3-(1,3-thiazol-2-yl)propan-2-one.

Molecular Properties

Compound Name1-(4-propan-2-ylphenyl)-3-(1,3-thiazol-2-yl)propan-2-one
PubChem CID157253743
Molecular FormulaC15H17NOS
Molecular Weight259.37 g/mol
Exact Mass259.10
IUPAC Name1-(4-propan-2-ylphenyl)-3-(1,3-thiazol-2-yl)propan-2-one
SMILESCC(C)c1ccc(CC(=O)Cc2nccs2)cc1
InChIInChI=1S/C15H17NOS/c1-11(2)13-5-3-12(4-6-13)9-14(17)10-15-16-7-8-18-15/h3-8,11H,9-10H2,1-2H3
InChIKeyAWQFUMGBZVXQLJ-UHFFFAOYSA-N
XLogP3.62
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.37
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-propan-2-ylphenyl)-3-(1,3-thiazol-2-yl)propan-2-one?
The IUPAC name of 1-(4-propan-2-ylphenyl)-3-(1,3-thiazol-2-yl)propan-2-one (CID 157253743) is 1-(4-propan-2-ylphenyl)-3-(1,3-thiazol-2-yl)propan-2-one.
What is the SMILES notation for 1-(4-propan-2-ylphenyl)-3-(1,3-thiazol-2-yl)propan-2-one?
The canonical SMILES for 1-(4-propan-2-ylphenyl)-3-(1,3-thiazol-2-yl)propan-2-one is CC(C)c1ccc(CC(=O)Cc2nccs2)cc1.
What is the InChIKey of 1-(4-propan-2-ylphenyl)-3-(1,3-thiazol-2-yl)propan-2-one?
The InChIKey is AWQFUMGBZVXQLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NOS/c1-11(2)13-5-3-12(4-6-13)9-14(17)10-15-16-7-8-18-15/h3-8,11H,9-10H2,1-2H3.
What are the key properties of 1-(4-propan-2-ylphenyl)-3-(1,3-thiazol-2-yl)propan-2-one?
1-(4-propan-2-ylphenyl)-3-(1,3-thiazol-2-yl)propan-2-one has a molecular weight of 259.37 g/mol, XLogP of 3.62, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propan-2-ylphenyl)-3-(1,3-thiazol-2-yl)propan-2-one is sourced from PubChem (CID 157253743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).