2-tert-butyl-1,1-dioxo-5-phenyl-1,2-thiazol-3-one

C13H15NO3S — CID 143032987

IUPAC2-tert-butyl-1,1-dioxo-5-phenyl-1,2-thiazol-3-one
SMILESCC(C)(C)N1C(=O)C=C(c2ccccc2)S1(=O)=O
InChIInChI=1S/C13H15NO3S/c1-13(2,3)14-12(15)9-11(18(14,16)17)10-7-5-4-6-8-10/h4-9H,1-3H3
InChIKeyILFHZCRKWQUBAL-UHFFFAOYSA-N
MW265.33 g/mol
LogP2.00
Rot. Bonds1

About 2-tert-butyl-1,1-dioxo-5-phenyl-1,2-thiazol-3-one

2-tert-butyl-1,1-dioxo-5-phenyl-1,2-thiazol-3-one (PubChem CID 143032987) has the molecular formula C13H15NO3S and a molecular weight of 265.33 g/mol. Its IUPAC name is 2-tert-butyl-1,1-dioxo-5-phenyl-1,2-thiazol-3-one.

Molecular Properties

Compound Name2-tert-butyl-1,1-dioxo-5-phenyl-1,2-thiazol-3-one
PubChem CID143032987
Molecular FormulaC13H15NO3S
Molecular Weight265.33 g/mol
Exact Mass265.08
IUPAC Name2-tert-butyl-1,1-dioxo-5-phenyl-1,2-thiazol-3-one
SMILESCC(C)(C)N1C(=O)C=C(c2ccccc2)S1(=O)=O
InChIInChI=1S/C13H15NO3S/c1-13(2,3)14-12(15)9-11(18(14,16)17)10-7-5-4-6-8-10/h4-9H,1-3H3
InChIKeyILFHZCRKWQUBAL-UHFFFAOYSA-N
XLogP2.00
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Xrtskrbkmfjbjv-uhfffaoysa-
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5-(4-fluorophenyl)-4-methylisothiazol-3(2H)-one 1,1-dioxide
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2-tert-Butyl-5-(2-fluoro-4-methylphenyl)isothiazol-3(2H)-one 1,1-dioxide
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2-Tert-butyl-5-(2-fluoro-4-methylphenyl)-1,2-thiazol-3-one
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(2S)-1-(4-methylphenyl)sulfonyl-2-prop-2-enyl-2H-pyrrol-5-one
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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1,1-dioxo-5-phenyl-1,2-thiazol-3-one?
The IUPAC name of 2-tert-butyl-1,1-dioxo-5-phenyl-1,2-thiazol-3-one (CID 143032987) is 2-tert-butyl-1,1-dioxo-5-phenyl-1,2-thiazol-3-one.
What is the SMILES notation for 2-tert-butyl-1,1-dioxo-5-phenyl-1,2-thiazol-3-one?
The canonical SMILES for 2-tert-butyl-1,1-dioxo-5-phenyl-1,2-thiazol-3-one is CC(C)(C)N1C(=O)C=C(c2ccccc2)S1(=O)=O.
What is the InChIKey of 2-tert-butyl-1,1-dioxo-5-phenyl-1,2-thiazol-3-one?
The InChIKey is ILFHZCRKWQUBAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3S/c1-13(2,3)14-12(15)9-11(18(14,16)17)10-7-5-4-6-8-10/h4-9H,1-3H3.
What are the key properties of 2-tert-butyl-1,1-dioxo-5-phenyl-1,2-thiazol-3-one?
2-tert-butyl-1,1-dioxo-5-phenyl-1,2-thiazol-3-one has a molecular weight of 265.33 g/mol, XLogP of 2.00, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1,1-dioxo-5-phenyl-1,2-thiazol-3-one is sourced from PubChem (CID 143032987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).