[2-(1H-indol-3-yl)-2-oxoethyl] 2-(4-methylphenyl)-1,3-thiazole-4-carboxylate

C21H16N2O3S — CID 7736590

IUPAC[2-(1H-indol-3-yl)-2-oxoethyl] 2-(4-methylphenyl)-1,3-thiazole-4-carboxylate
SMILESCc1ccc(-c2nc(C(=O)OCC(=O)c3c[nH]c4ccccc34)cs2)cc1
InChIInChI=1S/C21H16N2O3S/c1-13-6-8-14(9-7-13)20-23-18(12-27-20)21(25)26-11-19(24)16-10-22-17-5-3-2-4-15(16)17/h2-10,12,22H,11H2,1H3
InChIKeyLOGWUCPDCYQSAC-UHFFFAOYSA-N
MW376.44 g/mol
LogP4.64
Rot. Bonds5

About [2-(1H-indol-3-yl)-2-oxoethyl] 2-(4-methylphenyl)-1,3-thiazole-4-carboxylate

[2-(1H-indol-3-yl)-2-oxoethyl] 2-(4-methylphenyl)-1,3-thiazole-4-carboxylate (PubChem CID 7736590) has the molecular formula C21H16N2O3S and a molecular weight of 376.44 g/mol. Its IUPAC name is [2-(1H-indol-3-yl)-2-oxoethyl] 2-(4-methylphenyl)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Name[2-(1H-indol-3-yl)-2-oxoethyl] 2-(4-methylphenyl)-1,3-thiazole-4-carboxylate
PubChem CID7736590
Molecular FormulaC21H16N2O3S
Molecular Weight376.44 g/mol
Exact Mass376.09
IUPAC Name[2-(1H-indol-3-yl)-2-oxoethyl] 2-(4-methylphenyl)-1,3-thiazole-4-carboxylate
SMILESCc1ccc(-c2nc(C(=O)OCC(=O)c3c[nH]c4ccccc34)cs2)cc1
InChIInChI=1S/C21H16N2O3S/c1-13-6-8-14(9-7-13)20-23-18(12-27-20)21(25)26-11-19(24)16-10-22-17-5-3-2-4-15(16)17/h2-10,12,22H,11H2,1H3
InChIKeyLOGWUCPDCYQSAC-UHFFFAOYSA-N
XLogP4.64
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(2-fluorophenyl)-2-oxoethyl] 2-(4-ethylphenyl)-1,3-thiazole-4-carboxylate
CID 8837942
[2-(2-fluorophenyl)-2-oxoethyl] 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate
CID 9135151
[2-(1H-indol-3-yl)-2-oxoethyl] pyrazine-2-carboxylate
CID 2689640
[2-(1H-indol-3-yl)-2-oxoethyl] 2-iodobenzoate
CID 2689629
[2-(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl] 2-phenyl-1,3-thiazole-4-carboxylate
CID 55393123
[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl] 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate
CID 8824570
[2-(1H-indol-3-yl)-2-oxoethyl] 2-(5-methylfuran-2-yl)quinoline-4-carboxylate
CID 3940714
[2-(1H-indol-3-yl)-2-oxoethyl] butanoate
CID 4687931
[2-(1H-indol-3-yl)-2-oxoethyl] 2-methoxyacetate
CID 7775914
(2-oxo-2-thiophen-2-ylethyl) 2-(4-ethylphenyl)-1,3-thiazole-4-carboxylate
CID 8837935
[2-(4-fluorophenyl)-2-oxoethyl] 2-(4-ethylphenyl)-1,3-thiazole-4-carboxylate
CID 8837874
[2-(N-(3-amino-3-oxopropyl)anilino)-2-oxoethyl] 2-(4-methylphenyl)-1,3-thiazole-4-carboxylate
CID 26971242

Frequently Asked Questions

What is the IUPAC name of [2-(1H-indol-3-yl)-2-oxoethyl] 2-(4-methylphenyl)-1,3-thiazole-4-carboxylate?
The IUPAC name of [2-(1H-indol-3-yl)-2-oxoethyl] 2-(4-methylphenyl)-1,3-thiazole-4-carboxylate (CID 7736590) is [2-(1H-indol-3-yl)-2-oxoethyl] 2-(4-methylphenyl)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for [2-(1H-indol-3-yl)-2-oxoethyl] 2-(4-methylphenyl)-1,3-thiazole-4-carboxylate?
The canonical SMILES for [2-(1H-indol-3-yl)-2-oxoethyl] 2-(4-methylphenyl)-1,3-thiazole-4-carboxylate is Cc1ccc(-c2nc(C(=O)OCC(=O)c3c[nH]c4ccccc34)cs2)cc1.
What is the InChIKey of [2-(1H-indol-3-yl)-2-oxoethyl] 2-(4-methylphenyl)-1,3-thiazole-4-carboxylate?
The InChIKey is LOGWUCPDCYQSAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O3S/c1-13-6-8-14(9-7-13)20-23-18(12-27-20)21(25)26-11-19(24)16-10-22-17-5-3-2-4-15(16)17/h2-10,12,22H,11H2,1H3.
What are the key properties of [2-(1H-indol-3-yl)-2-oxoethyl] 2-(4-methylphenyl)-1,3-thiazole-4-carboxylate?
[2-(1H-indol-3-yl)-2-oxoethyl] 2-(4-methylphenyl)-1,3-thiazole-4-carboxylate has a molecular weight of 376.44 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1H-indol-3-yl)-2-oxoethyl] 2-(4-methylphenyl)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 7736590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).