[2-(1H-indol-3-yl)-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate

C16H14N2O4S — CID 9264646

IUPAC[2-(1H-indol-3-yl)-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
SMILESCc1csc(=O)n1CC(=O)OCC(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C16H14N2O4S/c1-10-9-23-16(21)18(10)7-15(20)22-8-14(19)12-6-17-13-5-3-2-4-11(12)13/h2-6,9,17H,7-8H2,1H3
InChIKeyKLNGWSKUJFSEQT-UHFFFAOYSA-N
MW330.37 g/mol
LogP2.13
Rot. Bonds5

About [2-(1H-indol-3-yl)-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate

[2-(1H-indol-3-yl)-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate (PubChem CID 9264646) has the molecular formula C16H14N2O4S and a molecular weight of 330.37 g/mol. Its IUPAC name is [2-(1H-indol-3-yl)-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate.

Molecular Properties

Compound Name[2-(1H-indol-3-yl)-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
PubChem CID9264646
Molecular FormulaC16H14N2O4S
Molecular Weight330.37 g/mol
Exact Mass330.07
IUPAC Name[2-(1H-indol-3-yl)-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
SMILESCc1csc(=O)n1CC(=O)OCC(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C16H14N2O4S/c1-10-9-23-16(21)18(10)7-15(20)22-8-14(19)12-6-17-13-5-3-2-4-11(12)13/h2-6,9,17H,7-8H2,1H3
InChIKeyKLNGWSKUJFSEQT-UHFFFAOYSA-N
XLogP2.13
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.37
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-(1H-indol-3-yl)-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate with MolForge

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Related Compounds

2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethyl 1H-indole-3-carboxylate
CID 46609312
[2-(1H-indol-3-yl)-2-oxoethyl] butanoate
CID 4687931
[2-(1H-indol-3-yl)-2-oxoethyl] 2-methoxyacetate
CID 7775914
[2-(1H-indol-3-yl)-2-oxoethyl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 2487046
[2-(1H-indol-3-yl)-2-oxoethyl] 2-phenylsulfanylacetate
CID 3362624
[2-(1H-indol-3-yl)-2-oxoethyl] 2-thiophen-3-ylacetate
CID 3937877
ethyl 4-(1H-indol-3-yl)-4-oxobutanoate
CID 22400544
[2-(1H-indol-3-yl)-2-oxoethyl] 2-naphthalen-2-ylsulfanylacetate
CID 2122419
[2-(1H-indol-3-yl)-2-oxoethyl] 3-methylbut-2-enoate
CID 5137843
[2-(1H-indol-3-yl)-2-oxoethyl] 2-(4-methylphenyl)-1,3-thiazole-4-carboxylate
CID 7736590
[2-(1H-indol-3-yl)-2-oxoethyl] 2-(4-formylphenoxy)acetate
CID 4004655
[2-oxo-2-(propan-2-ylamino)ethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
CID 30256076

Frequently Asked Questions

What is the IUPAC name of [2-(1H-indol-3-yl)-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate?
The IUPAC name of [2-(1H-indol-3-yl)-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate (CID 9264646) is [2-(1H-indol-3-yl)-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate.
What is the SMILES notation for [2-(1H-indol-3-yl)-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate?
The canonical SMILES for [2-(1H-indol-3-yl)-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate is Cc1csc(=O)n1CC(=O)OCC(=O)c1c[nH]c2ccccc12.
What is the InChIKey of [2-(1H-indol-3-yl)-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate?
The InChIKey is KLNGWSKUJFSEQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O4S/c1-10-9-23-16(21)18(10)7-15(20)22-8-14(19)12-6-17-13-5-3-2-4-11(12)13/h2-6,9,17H,7-8H2,1H3.
What are the key properties of [2-(1H-indol-3-yl)-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate?
[2-(1H-indol-3-yl)-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate has a molecular weight of 330.37 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1H-indol-3-yl)-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate is sourced from PubChem (CID 9264646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).