4-hydroxy-3-(naphthalen-1-ylmethyl)-5-(2-oxoindol-3-yl)-1,3-thiazol-2-one

C22H14N2O3S — CID 137131441

IUPAC4-hydroxy-3-(naphthalen-1-ylmethyl)-5-(2-oxoindol-3-yl)-1,3-thiazol-2-one
SMILESO=C1N=c2ccccc2=C1c1sc(=O)n(Cc2cccc3ccccc23)c1O
InChIInChI=1S/C22H14N2O3S/c25-20-18(16-10-3-4-11-17(16)23-20)19-21(26)24(22(27)28-19)12-14-8-5-7-13-6-1-2-9-15(13)14/h1-11,26H,12H2
InChIKeyMUBFLWOQWCUGAZ-UHFFFAOYSA-N
MW386.43 g/mol
LogP2.18
Rot. Bonds3

About 4-hydroxy-3-(naphthalen-1-ylmethyl)-5-(2-oxoindol-3-yl)-1,3-thiazol-2-one

4-hydroxy-3-(naphthalen-1-ylmethyl)-5-(2-oxoindol-3-yl)-1,3-thiazol-2-one (PubChem CID 137131441) has the molecular formula C22H14N2O3S and a molecular weight of 386.43 g/mol. Its IUPAC name is 4-hydroxy-3-(naphthalen-1-ylmethyl)-5-(2-oxoindol-3-yl)-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-hydroxy-3-(naphthalen-1-ylmethyl)-5-(2-oxoindol-3-yl)-1,3-thiazol-2-one
PubChem CID137131441
Molecular FormulaC22H14N2O3S
Molecular Weight386.43 g/mol
Exact Mass386.07
IUPAC Name4-hydroxy-3-(naphthalen-1-ylmethyl)-5-(2-oxoindol-3-yl)-1,3-thiazol-2-one
SMILESO=C1N=c2ccccc2=C1c1sc(=O)n(Cc2cccc3ccccc23)c1O
InChIInChI=1S/C22H14N2O3S/c25-20-18(16-10-3-4-11-17(16)23-20)19-21(26)24(22(27)28-19)12-14-8-5-7-13-6-1-2-9-15(13)14/h1-11,26H,12H2
InChIKeyMUBFLWOQWCUGAZ-UHFFFAOYSA-N
XLogP2.18
TPSA71.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-(naphthalen-1-ylmethyl)-5-(2-oxoindol-3-yl)-1,3-thiazol-2-one?
The IUPAC name of 4-hydroxy-3-(naphthalen-1-ylmethyl)-5-(2-oxoindol-3-yl)-1,3-thiazol-2-one (CID 137131441) is 4-hydroxy-3-(naphthalen-1-ylmethyl)-5-(2-oxoindol-3-yl)-1,3-thiazol-2-one.
What is the SMILES notation for 4-hydroxy-3-(naphthalen-1-ylmethyl)-5-(2-oxoindol-3-yl)-1,3-thiazol-2-one?
The canonical SMILES for 4-hydroxy-3-(naphthalen-1-ylmethyl)-5-(2-oxoindol-3-yl)-1,3-thiazol-2-one is O=C1N=c2ccccc2=C1c1sc(=O)n(Cc2cccc3ccccc23)c1O.
What is the InChIKey of 4-hydroxy-3-(naphthalen-1-ylmethyl)-5-(2-oxoindol-3-yl)-1,3-thiazol-2-one?
The InChIKey is MUBFLWOQWCUGAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14N2O3S/c25-20-18(16-10-3-4-11-17(16)23-20)19-21(26)24(22(27)28-19)12-14-8-5-7-13-6-1-2-9-15(13)14/h1-11,26H,12H2.
What are the key properties of 4-hydroxy-3-(naphthalen-1-ylmethyl)-5-(2-oxoindol-3-yl)-1,3-thiazol-2-one?
4-hydroxy-3-(naphthalen-1-ylmethyl)-5-(2-oxoindol-3-yl)-1,3-thiazol-2-one has a molecular weight of 386.43 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-(naphthalen-1-ylmethyl)-5-(2-oxoindol-3-yl)-1,3-thiazol-2-one is sourced from PubChem (CID 137131441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).