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

C19H14N2O3S — CID 135575309

IUPAC3-(2-ethylphenyl)-4-hydroxy-5-(2-oxoindol-3-yl)-1,3-thiazol-2-one
SMILESCCc1ccccc1-n1c(O)c(C2=c3ccccc3=NC2=O)sc1=O
InChIInChI=1S/C19H14N2O3S/c1-2-11-7-3-6-10-14(11)21-18(23)16(25-19(21)24)15-12-8-4-5-9-13(12)20-17(15)22/h3-10,23H,2H2,1H3
InChIKeySEZHAMXANLSZNF-UHFFFAOYSA-N
MW350.40 g/mol
LogP1.53
Rot. Bonds3

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

3-(2-ethylphenyl)-4-hydroxy-5-(2-oxoindol-3-yl)-1,3-thiazol-2-one (PubChem CID 135575309) has the molecular formula C19H14N2O3S and a molecular weight of 350.40 g/mol. Its IUPAC name is 3-(2-ethylphenyl)-4-hydroxy-5-(2-oxoindol-3-yl)-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-(2-ethylphenyl)-4-hydroxy-5-(2-oxoindol-3-yl)-1,3-thiazol-2-one
PubChem CID135575309
Molecular FormulaC19H14N2O3S
Molecular Weight350.40 g/mol
Exact Mass350.07
IUPAC Name3-(2-ethylphenyl)-4-hydroxy-5-(2-oxoindol-3-yl)-1,3-thiazol-2-one
SMILESCCc1ccccc1-n1c(O)c(C2=c3ccccc3=NC2=O)sc1=O
InChIInChI=1S/C19H14N2O3S/c1-2-11-7-3-6-10-14(11)21-18(23)16(25-19(21)24)15-12-8-4-5-9-13(12)20-17(15)22/h3-10,23H,2H2,1H3
InChIKeySEZHAMXANLSZNF-UHFFFAOYSA-N
XLogP1.53
TPSA71.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-(2-ethylphenyl)-4-hydroxy-2-sulfanylidene-1,3-thiazol-5-yl]indol-2-one
CID 4515352
4-hydroxy-3-(naphthalen-1-ylmethyl)-5-(2-oxoindol-3-yl)-1,3-thiazol-2-one
CID 137131441
3-[(2-chlorophenyl)methyl]-4-hydroxy-5-(2-oxoindol-3-yl)-1,3-thiazol-2-one
CID 4270830
3-[3-(2-chlorophenyl)-4-hydroxy-2-sulfanylidene-1,3-thiazol-5-yl]indol-2-one
CID 1287047
3-[4-hydroxy-5-(2-oxoindol-3-yl)-2-sulfanylidene-1,3-thiazol-3-yl]propanal
CID 169445189
3-[3-(2-ethylhexyl)-4-hydroxy-2-sulfanylidene-1,3-thiazol-5-yl]indol-2-one
CID 3817901
2-[4-hydroxy-5-(2-oxoindol-3-yl)-2-sulfanylidene-1,3-thiazol-3-yl]ethanesulfonic acid
CID 4515349
3-(4-hydroxy-3-phenyl-2-sulfanylidene-1,3-thiazol-5-yl)-5-methylindol-2-one
CID 1271404
(NZ)-N-[4-hydroxy-3-methyl-5-(2-oxoindol-3-yl)-1,3-thiazol-2-ylidene]-4-methylbenzenesulfonamide
CID 135411349
3-[4-hydroxy-2-(4-pyrimidin-2-ylpiperazin-1-yl)-1,3-thiazol-5-yl]indol-2-one
CID 137296054
6-bromo-3-[3-(4-ethoxyphenyl)-4-hydroxy-2-sulfanylidene-1,3-thiazol-5-yl]indol-2-one
CID 1388338
3-(3-benzyl-4-hydroxy-2-sulfanylidene-1,3-thiazol-5-yl)-5-chloroindol-2-one
CID 1360153

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylphenyl)-4-hydroxy-5-(2-oxoindol-3-yl)-1,3-thiazol-2-one?
The IUPAC name of 3-(2-ethylphenyl)-4-hydroxy-5-(2-oxoindol-3-yl)-1,3-thiazol-2-one (CID 135575309) is 3-(2-ethylphenyl)-4-hydroxy-5-(2-oxoindol-3-yl)-1,3-thiazol-2-one.
What is the SMILES notation for 3-(2-ethylphenyl)-4-hydroxy-5-(2-oxoindol-3-yl)-1,3-thiazol-2-one?
The canonical SMILES for 3-(2-ethylphenyl)-4-hydroxy-5-(2-oxoindol-3-yl)-1,3-thiazol-2-one is CCc1ccccc1-n1c(O)c(C2=c3ccccc3=NC2=O)sc1=O.
What is the InChIKey of 3-(2-ethylphenyl)-4-hydroxy-5-(2-oxoindol-3-yl)-1,3-thiazol-2-one?
The InChIKey is SEZHAMXANLSZNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O3S/c1-2-11-7-3-6-10-14(11)21-18(23)16(25-19(21)24)15-12-8-4-5-9-13(12)20-17(15)22/h3-10,23H,2H2,1H3.
What are the key properties of 3-(2-ethylphenyl)-4-hydroxy-5-(2-oxoindol-3-yl)-1,3-thiazol-2-one?
3-(2-ethylphenyl)-4-hydroxy-5-(2-oxoindol-3-yl)-1,3-thiazol-2-one has a molecular weight of 350.40 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylphenyl)-4-hydroxy-5-(2-oxoindol-3-yl)-1,3-thiazol-2-one is sourced from PubChem (CID 135575309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).