[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate

C20H17NO3S2 — CID 46826731

IUPAC[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate
SMILESO=C(Cc1csc(-c2cccs2)n1)OCC(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C20H17NO3S2/c22-17(15-7-6-13-3-1-4-14(13)9-15)11-24-19(23)10-16-12-26-20(21-16)18-5-2-8-25-18/h2,5-9,12H,1,3-4,10-11H2
InChIKeyBYVICZDFNAIZDX-UHFFFAOYSA-N
MW383.49 g/mol
LogP4.33
Rot. Bonds6

About [2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate

[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate (PubChem CID 46826731) has the molecular formula C20H17NO3S2 and a molecular weight of 383.49 g/mol. Its IUPAC name is [2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate.

Molecular Properties

Compound Name[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate
PubChem CID46826731
Molecular FormulaC20H17NO3S2
Molecular Weight383.49 g/mol
Exact Mass383.06
IUPAC Name[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate
SMILESO=C(Cc1csc(-c2cccs2)n1)OCC(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C20H17NO3S2/c22-17(15-7-6-13-3-1-4-14(13)9-15)11-24-19(23)10-16-12-26-20(21-16)18-5-2-8-25-18/h2,5-9,12H,1,3-4,10-11H2
InChIKeyBYVICZDFNAIZDX-UHFFFAOYSA-N
XLogP4.33
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate?
The IUPAC name of [2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate (CID 46826731) is [2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate.
What is the SMILES notation for [2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate?
The canonical SMILES for [2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate is O=C(Cc1csc(-c2cccs2)n1)OCC(=O)c1ccc2c(c1)CCC2.
What is the InChIKey of [2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate?
The InChIKey is BYVICZDFNAIZDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO3S2/c22-17(15-7-6-13-3-1-4-14(13)9-15)11-24-19(23)10-16-12-26-20(21-16)18-5-2-8-25-18/h2,5-9,12H,1,3-4,10-11H2.
What are the key properties of [2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate?
[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate has a molecular weight of 383.49 g/mol, XLogP of 4.33, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate is sourced from PubChem (CID 46826731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).