1-[5-[2-(4-hydroxyphenyl)-5-methyl-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]ethanone

C20H18N2O2S — CID 135876242

IUPAC1-[5-[2-(4-hydroxyphenyl)-5-methyl-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]ethanone
SMILESCC(=O)N1CCc2cc(-c3nc(-c4ccc(O)cc4)sc3C)ccc21
InChIInChI=1S/C20H18N2O2S/c1-12-19(21-20(25-12)14-3-6-17(24)7-4-14)16-5-8-18-15(11-16)9-10-22(18)13(2)23/h3-8,11,24H,9-10H2,1-2H3
InChIKeyGUEBQPUAFNGVSF-UHFFFAOYSA-N
MW350.44 g/mol
LogP4.40
Rot. Bonds2

About 1-[5-[2-(4-hydroxyphenyl)-5-methyl-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]ethanone

1-[5-[2-(4-hydroxyphenyl)-5-methyl-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]ethanone (PubChem CID 135876242) has the molecular formula C20H18N2O2S and a molecular weight of 350.44 g/mol. Its IUPAC name is 1-[5-[2-(4-hydroxyphenyl)-5-methyl-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]ethanone.

Molecular Properties

Compound Name1-[5-[2-(4-hydroxyphenyl)-5-methyl-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]ethanone
PubChem CID135876242
Molecular FormulaC20H18N2O2S
Molecular Weight350.44 g/mol
Exact Mass350.11
IUPAC Name1-[5-[2-(4-hydroxyphenyl)-5-methyl-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]ethanone
SMILESCC(=O)N1CCc2cc(-c3nc(-c4ccc(O)cc4)sc3C)ccc21
InChIInChI=1S/C20H18N2O2S/c1-12-19(21-20(25-12)14-3-6-17(24)7-4-14)16-5-8-18-15(11-16)9-10-22(18)13(2)23/h3-8,11,24H,9-10H2,1-2H3
InChIKeyGUEBQPUAFNGVSF-UHFFFAOYSA-N
XLogP4.40
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[5-[2-(4-hydroxyphenyl)-5-methyl-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]ethanone with MolForge

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Related Compounds

N-[4-(1-acetyl-2,3-dihydroindol-5-yl)-5-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
CID 1458252
1-[5-[5-methyl-2-(prop-2-enylamino)-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]ethanone
CID 17453132
ethyl 2-[[4-(1-acetyl-2,3-dihydroindol-5-yl)-5-methyl-1,3-thiazol-2-yl]amino]-2-oxoacetate
CID 43816449
1-[4-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]ethanone
CID 176740623
1-[5-(2-amino-5-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]-2-methylpropan-1-one
CID 167995697
3,3-dimethyl-1-[5-[5-methyl-2-(methylamino)-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]butan-1-one
CID 1450984
1-[4-(1-acetyl-2,3-dihydroindol-5-yl)phenyl]propan-2-one
CID 82540699
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 26783293
methane;1-(5-methyl-2,3-dihydroindol-1-yl)ethanone
CID 159834618
[5-[5-methyl-2-(methylamino)-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]-(3-methylphenyl)methanone
CID 1450308
1-[6-(5-methyl-3-methylsulfanyl-1,2,4-triazin-6-yl)-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 23326421
(4,5-dimethyl-1,3-thiazol-2-yl)methyl 1-acetyl-2,3-dihydroindole-5-carboxylate
CID 71869332

Frequently Asked Questions

What is the IUPAC name of 1-[5-[2-(4-hydroxyphenyl)-5-methyl-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]ethanone?
The IUPAC name of 1-[5-[2-(4-hydroxyphenyl)-5-methyl-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]ethanone (CID 135876242) is 1-[5-[2-(4-hydroxyphenyl)-5-methyl-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]ethanone.
What is the SMILES notation for 1-[5-[2-(4-hydroxyphenyl)-5-methyl-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]ethanone?
The canonical SMILES for 1-[5-[2-(4-hydroxyphenyl)-5-methyl-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]ethanone is CC(=O)N1CCc2cc(-c3nc(-c4ccc(O)cc4)sc3C)ccc21.
What is the InChIKey of 1-[5-[2-(4-hydroxyphenyl)-5-methyl-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]ethanone?
The InChIKey is GUEBQPUAFNGVSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O2S/c1-12-19(21-20(25-12)14-3-6-17(24)7-4-14)16-5-8-18-15(11-16)9-10-22(18)13(2)23/h3-8,11,24H,9-10H2,1-2H3.
What are the key properties of 1-[5-[2-(4-hydroxyphenyl)-5-methyl-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]ethanone?
1-[5-[2-(4-hydroxyphenyl)-5-methyl-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]ethanone has a molecular weight of 350.44 g/mol, XLogP of 4.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[2-(4-hydroxyphenyl)-5-methyl-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]ethanone is sourced from PubChem (CID 135876242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).