4-hydroxy-5-(5-methyl-2-oxoindol-3-yl)-3H-1,3-thiazol-2-one

C12H8N2O3S — CID 1383950

IUPAC4-hydroxy-5-(5-methyl-2-oxoindol-3-yl)-3H-1,3-thiazol-2-one
SMILESCc1ccc2c(c1)=C(c1sc(=O)[nH]c1O)C(=O)N=2
InChIInChI=1S/C12H8N2O3S/c1-5-2-3-7-6(4-5)8(10(15)13-7)9-11(16)14-12(17)18-9/h2-4,16H,1H3,(H,14,17)
InChIKeyQOBRVWXWVACNKD-UHFFFAOYSA-N
MW260.27 g/mol
LogP-0.19
Rot. Bonds1

About 4-hydroxy-5-(5-methyl-2-oxoindol-3-yl)-3H-1,3-thiazol-2-one

4-hydroxy-5-(5-methyl-2-oxoindol-3-yl)-3H-1,3-thiazol-2-one (PubChem CID 1383950) has the molecular formula C12H8N2O3S and a molecular weight of 260.27 g/mol. Its IUPAC name is 4-hydroxy-5-(5-methyl-2-oxoindol-3-yl)-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-hydroxy-5-(5-methyl-2-oxoindol-3-yl)-3H-1,3-thiazol-2-one
PubChem CID1383950
Molecular FormulaC12H8N2O3S
Molecular Weight260.27 g/mol
Exact Mass260.03
IUPAC Name4-hydroxy-5-(5-methyl-2-oxoindol-3-yl)-3H-1,3-thiazol-2-one
SMILESCc1ccc2c(c1)=C(c1sc(=O)[nH]c1O)C(=O)N=2
InChIInChI=1S/C12H8N2O3S/c1-5-2-3-7-6(4-5)8(10(15)13-7)9-11(16)14-12(17)18-9/h2-4,16H,1H3,(H,14,17)
InChIKeyQOBRVWXWVACNKD-UHFFFAOYSA-N
XLogP-0.19
TPSA82.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.27
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-(5-methyl-2-oxoindol-3-yl)-3H-1,3-thiazol-2-one?
The IUPAC name of 4-hydroxy-5-(5-methyl-2-oxoindol-3-yl)-3H-1,3-thiazol-2-one (CID 1383950) is 4-hydroxy-5-(5-methyl-2-oxoindol-3-yl)-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-hydroxy-5-(5-methyl-2-oxoindol-3-yl)-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-hydroxy-5-(5-methyl-2-oxoindol-3-yl)-3H-1,3-thiazol-2-one is Cc1ccc2c(c1)=C(c1sc(=O)[nH]c1O)C(=O)N=2.
What is the InChIKey of 4-hydroxy-5-(5-methyl-2-oxoindol-3-yl)-3H-1,3-thiazol-2-one?
The InChIKey is QOBRVWXWVACNKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2O3S/c1-5-2-3-7-6(4-5)8(10(15)13-7)9-11(16)14-12(17)18-9/h2-4,16H,1H3,(H,14,17).
What are the key properties of 4-hydroxy-5-(5-methyl-2-oxoindol-3-yl)-3H-1,3-thiazol-2-one?
4-hydroxy-5-(5-methyl-2-oxoindol-3-yl)-3H-1,3-thiazol-2-one has a molecular weight of 260.27 g/mol, XLogP of -0.19, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-(5-methyl-2-oxoindol-3-yl)-3H-1,3-thiazol-2-one is sourced from PubChem (CID 1383950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).