4-hydroxy-1,1-dioxo-5-phenyl-2-propan-2-yl-1,2-thiazol-3-one

C12H13NO4S — CID 67242125

IUPAC4-hydroxy-1,1-dioxo-5-phenyl-2-propan-2-yl-1,2-thiazol-3-one
SMILESCC(C)N1C(=O)C(O)=C(c2ccccc2)S1(=O)=O
InChIInChI=1S/C12H13NO4S/c1-8(2)13-12(15)10(14)11(18(13,16)17)9-6-4-3-5-7-9/h3-8,14H,1-2H3
InChIKeyQDXHLZHRDPLDBS-UHFFFAOYSA-N
MW267.31 g/mol
LogP1.49
Rot. Bonds2

About 4-hydroxy-1,1-dioxo-5-phenyl-2-propan-2-yl-1,2-thiazol-3-one

4-hydroxy-1,1-dioxo-5-phenyl-2-propan-2-yl-1,2-thiazol-3-one (PubChem CID 67242125) has the molecular formula C12H13NO4S and a molecular weight of 267.31 g/mol. Its IUPAC name is 4-hydroxy-1,1-dioxo-5-phenyl-2-propan-2-yl-1,2-thiazol-3-one.

Molecular Properties

Compound Name4-hydroxy-1,1-dioxo-5-phenyl-2-propan-2-yl-1,2-thiazol-3-one
PubChem CID67242125
Molecular FormulaC12H13NO4S
Molecular Weight267.31 g/mol
Exact Mass267.06
IUPAC Name4-hydroxy-1,1-dioxo-5-phenyl-2-propan-2-yl-1,2-thiazol-3-one
SMILESCC(C)N1C(=O)C(O)=C(c2ccccc2)S1(=O)=O
InChIInChI=1S/C12H13NO4S/c1-8(2)13-12(15)10(14)11(18(13,16)17)9-6-4-3-5-7-9/h3-8,14H,1-2H3
InChIKeyQDXHLZHRDPLDBS-UHFFFAOYSA-N
XLogP1.49
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1,1-dioxo-5-phenyl-2-propan-2-yl-1,2-thiazol-3-one?
The IUPAC name of 4-hydroxy-1,1-dioxo-5-phenyl-2-propan-2-yl-1,2-thiazol-3-one (CID 67242125) is 4-hydroxy-1,1-dioxo-5-phenyl-2-propan-2-yl-1,2-thiazol-3-one.
What is the SMILES notation for 4-hydroxy-1,1-dioxo-5-phenyl-2-propan-2-yl-1,2-thiazol-3-one?
The canonical SMILES for 4-hydroxy-1,1-dioxo-5-phenyl-2-propan-2-yl-1,2-thiazol-3-one is CC(C)N1C(=O)C(O)=C(c2ccccc2)S1(=O)=O.
What is the InChIKey of 4-hydroxy-1,1-dioxo-5-phenyl-2-propan-2-yl-1,2-thiazol-3-one?
The InChIKey is QDXHLZHRDPLDBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO4S/c1-8(2)13-12(15)10(14)11(18(13,16)17)9-6-4-3-5-7-9/h3-8,14H,1-2H3.
What are the key properties of 4-hydroxy-1,1-dioxo-5-phenyl-2-propan-2-yl-1,2-thiazol-3-one?
4-hydroxy-1,1-dioxo-5-phenyl-2-propan-2-yl-1,2-thiazol-3-one has a molecular weight of 267.31 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1,1-dioxo-5-phenyl-2-propan-2-yl-1,2-thiazol-3-one is sourced from PubChem (CID 67242125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).