2-(2,3-dihydro-1H-inden-5-yloxy)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone

C18H21N3O2S — CID 18138896

IUPAC2-(2,3-dihydro-1H-inden-5-yloxy)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone
SMILESO=C(COc1ccc2c(c1)CCC2)N1CCN(c2nccs2)CC1
InChIInChI=1S/C18H21N3O2S/c22-17(13-23-16-5-4-14-2-1-3-15(14)12-16)20-7-9-21(10-8-20)18-19-6-11-24-18/h4-6,11-12H,1-3,7-10,13H2
InChIKeyATEGBKFJPYWNFH-UHFFFAOYSA-N
MW343.45 g/mol
LogP2.36
Rot. Bonds4

About 2-(2,3-dihydro-1H-inden-5-yloxy)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone

2-(2,3-dihydro-1H-inden-5-yloxy)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone (PubChem CID 18138896) has the molecular formula C18H21N3O2S and a molecular weight of 343.45 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-5-yloxy)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-5-yloxy)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone
PubChem CID18138896
Molecular FormulaC18H21N3O2S
Molecular Weight343.45 g/mol
Exact Mass343.14
IUPAC Name2-(2,3-dihydro-1H-inden-5-yloxy)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone
SMILESO=C(COc1ccc2c(c1)CCC2)N1CCN(c2nccs2)CC1
InChIInChI=1S/C18H21N3O2S/c22-17(13-23-16-5-4-14-2-1-3-15(14)12-16)20-7-9-21(10-8-20)18-19-6-11-24-18/h4-6,11-12H,1-3,7-10,13H2
InChIKeyATEGBKFJPYWNFH-UHFFFAOYSA-N
XLogP2.36
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,3-dihydro-1H-inden-5-yloxy)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 9022751
2-(2,3-dihydro-1H-inden-5-yloxy)-1-[4-(piperidine-1-carbonyl)piperazin-1-yl]ethanone
CID 18152944
2-ethoxy-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone
CID 60708282
2-(2,3-dihydro-1H-inden-5-yloxy)-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethanone
CID 9226254
2-(2,3-dihydro-1H-inden-5-yloxy)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone
CID 2971497
2-[4-(1,3-dithian-2-yl)phenoxy]-1-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]ethanone
CID 51126149
1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-2-(2,4,5-trichlorophenoxy)ethanone
CID 18138931
2-(2,3-dihydro-1H-inden-5-yloxy)-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone
CID 9180941
1-[4-(3-methylphenyl)piperazin-1-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethanone
CID 112978210
2-(2,3-dihydro-1H-inden-5-yloxy)-1-(3,5-dimethylpiperidin-1-yl)ethanone
CID 112775488
2-(propan-2-ylamino)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone
CID 60841085
2-(2,3-dihydro-1H-inden-5-yloxy)-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethanone
CID 115746603

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-5-yloxy)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(2,3-dihydro-1H-inden-5-yloxy)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone (CID 18138896) is 2-(2,3-dihydro-1H-inden-5-yloxy)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-5-yloxy)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-5-yloxy)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone is O=C(COc1ccc2c(c1)CCC2)N1CCN(c2nccs2)CC1.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-5-yloxy)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone?
The InChIKey is ATEGBKFJPYWNFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2S/c22-17(13-23-16-5-4-14-2-1-3-15(14)12-16)20-7-9-21(10-8-20)18-19-6-11-24-18/h4-6,11-12H,1-3,7-10,13H2.
What are the key properties of 2-(2,3-dihydro-1H-inden-5-yloxy)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone?
2-(2,3-dihydro-1H-inden-5-yloxy)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone has a molecular weight of 343.45 g/mol, XLogP of 2.36, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-5-yloxy)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 18138896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).