3-(4-propoxyphenyl)-1-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]propan-1-one

C19H24N2O3S — CID 121150439

IUPAC3-(4-propoxyphenyl)-1-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]propan-1-one
SMILESCCCOc1ccc(CCC(=O)N2CCC(Oc3nccs3)C2)cc1
InChIInChI=1S/C19H24N2O3S/c1-2-12-23-16-6-3-15(4-7-16)5-8-18(22)21-11-9-17(14-21)24-19-20-10-13-25-19/h3-4,6-7,10,13,17H,2,5,8-9,11-12,14H2,1H3
InChIKeyZNKBHFLNROOHJF-UHFFFAOYSA-N
MW360.48 g/mol
LogP3.54
Rot. Bonds8

About 3-(4-propoxyphenyl)-1-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]propan-1-one

3-(4-propoxyphenyl)-1-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]propan-1-one (PubChem CID 121150439) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is 3-(4-propoxyphenyl)-1-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(4-propoxyphenyl)-1-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]propan-1-one
PubChem CID121150439
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC Name3-(4-propoxyphenyl)-1-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]propan-1-one
SMILESCCCOc1ccc(CCC(=O)N2CCC(Oc3nccs3)C2)cc1
InChIInChI=1S/C19H24N2O3S/c1-2-12-23-16-6-3-15(4-7-16)5-8-18(22)21-11-9-17(14-21)24-19-20-10-13-25-19/h3-4,6-7,10,13,17H,2,5,8-9,11-12,14H2,1H3
InChIKeyZNKBHFLNROOHJF-UHFFFAOYSA-N
XLogP3.54
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methylphenoxy)-1-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]ethanone
CID 121150572
3-(4-bromophenyl)-1-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]propan-1-one
CID 90627523
3-(2-bromophenyl)-1-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]propan-1-one
CID 121150437
1-[3-(4-propoxyphenyl)propanoyl]piperidine-4-carboxylic acid
CID 119166313
3-(3,4-dichlorophenyl)-1-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]propan-1-one
CID 90627528
2-(4-propan-2-ylsulfonylphenyl)-1-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]ethanone
CID 121150397
3-(benzenesulfonyl)-1-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]propan-1-one
CID 121150388
2-(1,3-benzodioxol-5-yl)-1-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]ethanone
CID 121150602
2,2-dimethyl-1-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]propan-1-one
CID 121150296
2-pyrimidin-2-ylsulfanyl-1-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]ethanone
CID 121150581
1-(3-methylpiperazin-1-yl)-3-(4-propoxyphenyl)propan-1-one;hydrochloride
CID 119579077
2-(tetrazol-1-yl)-1-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]ethanone
CID 121150513

Frequently Asked Questions

What is the IUPAC name of 3-(4-propoxyphenyl)-1-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]propan-1-one?
The IUPAC name of 3-(4-propoxyphenyl)-1-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]propan-1-one (CID 121150439) is 3-(4-propoxyphenyl)-1-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(4-propoxyphenyl)-1-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 3-(4-propoxyphenyl)-1-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]propan-1-one is CCCOc1ccc(CCC(=O)N2CCC(Oc3nccs3)C2)cc1.
What is the InChIKey of 3-(4-propoxyphenyl)-1-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]propan-1-one?
The InChIKey is ZNKBHFLNROOHJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-2-12-23-16-6-3-15(4-7-16)5-8-18(22)21-11-9-17(14-21)24-19-20-10-13-25-19/h3-4,6-7,10,13,17H,2,5,8-9,11-12,14H2,1H3.
What are the key properties of 3-(4-propoxyphenyl)-1-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]propan-1-one?
3-(4-propoxyphenyl)-1-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]propan-1-one has a molecular weight of 360.48 g/mol, XLogP of 3.54, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-propoxyphenyl)-1-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 121150439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).