3-[3-(2-ethylphenyl)-4-hydroxy-2-sulfanylidene-1,3-thiazol-5-yl]indol-2-one

C19H14N2O2S2 — CID 4515352

IUPAC3-[3-(2-ethylphenyl)-4-hydroxy-2-sulfanylidene-1,3-thiazol-5-yl]indol-2-one
SMILESCCc1ccccc1-n1c(O)c(C2=c3ccccc3=NC2=O)sc1=S
InChIInChI=1S/C19H14N2O2S2/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
InChIKeyBHOCHTMLGGKWCL-UHFFFAOYSA-N
MW366.47 g/mol
LogP2.90
Rot. Bonds3

About 3-[3-(2-ethylphenyl)-4-hydroxy-2-sulfanylidene-1,3-thiazol-5-yl]indol-2-one

3-[3-(2-ethylphenyl)-4-hydroxy-2-sulfanylidene-1,3-thiazol-5-yl]indol-2-one (PubChem CID 4515352) has the molecular formula C19H14N2O2S2 and a molecular weight of 366.47 g/mol. Its IUPAC name is 3-[3-(2-ethylphenyl)-4-hydroxy-2-sulfanylidene-1,3-thiazol-5-yl]indol-2-one.

Molecular Properties

Compound Name3-[3-(2-ethylphenyl)-4-hydroxy-2-sulfanylidene-1,3-thiazol-5-yl]indol-2-one
PubChem CID4515352
Molecular FormulaC19H14N2O2S2
Molecular Weight366.47 g/mol
Exact Mass366.05
IUPAC Name3-[3-(2-ethylphenyl)-4-hydroxy-2-sulfanylidene-1,3-thiazol-5-yl]indol-2-one
SMILESCCc1ccccc1-n1c(O)c(C2=c3ccccc3=NC2=O)sc1=S
InChIInChI=1S/C19H14N2O2S2/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
InChIKeyBHOCHTMLGGKWCL-UHFFFAOYSA-N
XLogP2.90
TPSA54.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

3-(2-ethylphenyl)-4-hydroxy-5-(2-oxoindol-3-yl)-1,3-thiazol-2-one
CID 135575309
3-[3-(2-chlorophenyl)-4-hydroxy-2-sulfanylidene-1,3-thiazol-5-yl]indol-2-one
CID 1287047
3-(4-hydroxy-3-phenyl-2-sulfanylidene-1,3-thiazol-5-yl)-5-methylindol-2-one
CID 1271404
3-[4-hydroxy-5-(2-oxoindol-3-yl)-2-sulfanylidene-1,3-thiazol-3-yl]propanal
CID 169445189
2-[4-hydroxy-5-(2-oxoindol-3-yl)-2-sulfanylidene-1,3-thiazol-3-yl]ethanesulfonic acid
CID 4515349
methyl 3-[4-hydroxy-5-(2-oxoindol-3-yl)-2-sulfanylidene-1,3-thiazol-3-yl]propanoate
CID 135597773
acetic acid;3-[4-hydroxy-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazol-5-yl]indol-2-one
CID 135691190
3-[3-(2-ethylhexyl)-4-hydroxy-2-sulfanylidene-1,3-thiazol-5-yl]indol-2-one
CID 3817901
3-[(2-chlorophenyl)methyl]-4-hydroxy-5-(2-oxoindol-3-yl)-1,3-thiazol-2-one
CID 4270830
4-hydroxy-3-(naphthalen-1-ylmethyl)-5-(2-oxoindol-3-yl)-1,3-thiazol-2-one
CID 137131441
6-bromo-3-[3-(4-ethoxyphenyl)-4-hydroxy-2-sulfanylidene-1,3-thiazol-5-yl]indol-2-one
CID 1388338
5-bromo-3-[3-(4-butylphenyl)-4-hydroxy-2-sulfanylidene-1,3-thiazol-5-yl]indol-2-one
CID 4515408

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-ethylphenyl)-4-hydroxy-2-sulfanylidene-1,3-thiazol-5-yl]indol-2-one?
The IUPAC name of 3-[3-(2-ethylphenyl)-4-hydroxy-2-sulfanylidene-1,3-thiazol-5-yl]indol-2-one (CID 4515352) is 3-[3-(2-ethylphenyl)-4-hydroxy-2-sulfanylidene-1,3-thiazol-5-yl]indol-2-one.
What is the SMILES notation for 3-[3-(2-ethylphenyl)-4-hydroxy-2-sulfanylidene-1,3-thiazol-5-yl]indol-2-one?
The canonical SMILES for 3-[3-(2-ethylphenyl)-4-hydroxy-2-sulfanylidene-1,3-thiazol-5-yl]indol-2-one is CCc1ccccc1-n1c(O)c(C2=c3ccccc3=NC2=O)sc1=S.
What is the InChIKey of 3-[3-(2-ethylphenyl)-4-hydroxy-2-sulfanylidene-1,3-thiazol-5-yl]indol-2-one?
The InChIKey is BHOCHTMLGGKWCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O2S2/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-[3-(2-ethylphenyl)-4-hydroxy-2-sulfanylidene-1,3-thiazol-5-yl]indol-2-one?
3-[3-(2-ethylphenyl)-4-hydroxy-2-sulfanylidene-1,3-thiazol-5-yl]indol-2-one has a molecular weight of 366.47 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-ethylphenyl)-4-hydroxy-2-sulfanylidene-1,3-thiazol-5-yl]indol-2-one is sourced from PubChem (CID 4515352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).