1-(5-chloro-2,3-dihydroindol-1-yl)-2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]ethanone

C20H17ClN2O2S — CID 171483107

IUPAC1-(5-chloro-2,3-dihydroindol-1-yl)-2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]ethanone
SMILESO=C(Cc1csc(COc2ccccc2)n1)N1CCc2cc(Cl)ccc21
InChIInChI=1S/C20H17ClN2O2S/c21-15-6-7-18-14(10-15)8-9-23(18)20(24)11-16-13-26-19(22-16)12-25-17-4-2-1-3-5-17/h1-7,10,13H,8-9,11-12H2
InChIKeyZDACQXLURALYPY-UHFFFAOYSA-N
MW384.89 g/mol
LogP4.51
Rot. Bonds5

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

1-(5-chloro-2,3-dihydroindol-1-yl)-2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]ethanone (PubChem CID 171483107) has the molecular formula C20H17ClN2O2S and a molecular weight of 384.89 g/mol. Its IUPAC name is 1-(5-chloro-2,3-dihydroindol-1-yl)-2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]ethanone.

Molecular Properties

Compound Name1-(5-chloro-2,3-dihydroindol-1-yl)-2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]ethanone
PubChem CID171483107
Molecular FormulaC20H17ClN2O2S
Molecular Weight384.89 g/mol
Exact Mass384.07
IUPAC Name1-(5-chloro-2,3-dihydroindol-1-yl)-2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]ethanone
SMILESO=C(Cc1csc(COc2ccccc2)n1)N1CCc2cc(Cl)ccc21
InChIInChI=1S/C20H17ClN2O2S/c21-15-6-7-18-14(10-15)8-9-23(18)20(24)11-16-13-26-19(22-16)12-25-17-4-2-1-3-5-17/h1-7,10,13H,8-9,11-12H2
InChIKeyZDACQXLURALYPY-UHFFFAOYSA-N
XLogP4.51
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.89
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2,3-dihydroindol-1-yl)-2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]ethanone?
The IUPAC name of 1-(5-chloro-2,3-dihydroindol-1-yl)-2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]ethanone (CID 171483107) is 1-(5-chloro-2,3-dihydroindol-1-yl)-2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]ethanone.
What is the SMILES notation for 1-(5-chloro-2,3-dihydroindol-1-yl)-2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]ethanone?
The canonical SMILES for 1-(5-chloro-2,3-dihydroindol-1-yl)-2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]ethanone is O=C(Cc1csc(COc2ccccc2)n1)N1CCc2cc(Cl)ccc21.
What is the InChIKey of 1-(5-chloro-2,3-dihydroindol-1-yl)-2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]ethanone?
The InChIKey is ZDACQXLURALYPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O2S/c21-15-6-7-18-14(10-15)8-9-23(18)20(24)11-16-13-26-19(22-16)12-25-17-4-2-1-3-5-17/h1-7,10,13H,8-9,11-12H2.
What are the key properties of 1-(5-chloro-2,3-dihydroindol-1-yl)-2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]ethanone?
1-(5-chloro-2,3-dihydroindol-1-yl)-2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]ethanone has a molecular weight of 384.89 g/mol, XLogP of 4.51, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2,3-dihydroindol-1-yl)-2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]ethanone is sourced from PubChem (CID 171483107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).