2-(4-methoxynaphthalen-1-yl)-3-propyl-1,3-thiazolidin-4-one

C17H19NO2S — CID 3824403

IUPAC2-(4-methoxynaphthalen-1-yl)-3-propyl-1,3-thiazolidin-4-one
SMILESCCCN1C(=O)CSC1c1ccc(OC)c2ccccc12
InChIInChI=1S/C17H19NO2S/c1-3-10-18-16(19)11-21-17(18)14-8-9-15(20-2)13-7-5-4-6-12(13)14/h4-9,17H,3,10-11H2,1-2H3
InChIKeyDXLBFWSEXTUUIE-UHFFFAOYSA-N
MW301.41 g/mol
LogP3.83
Rot. Bonds4

About 2-(4-methoxynaphthalen-1-yl)-3-propyl-1,3-thiazolidin-4-one

2-(4-methoxynaphthalen-1-yl)-3-propyl-1,3-thiazolidin-4-one (PubChem CID 3824403) has the molecular formula C17H19NO2S and a molecular weight of 301.41 g/mol. Its IUPAC name is 2-(4-methoxynaphthalen-1-yl)-3-propyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(4-methoxynaphthalen-1-yl)-3-propyl-1,3-thiazolidin-4-one
PubChem CID3824403
Molecular FormulaC17H19NO2S
Molecular Weight301.41 g/mol
Exact Mass301.11
IUPAC Name2-(4-methoxynaphthalen-1-yl)-3-propyl-1,3-thiazolidin-4-one
SMILESCCCN1C(=O)CSC1c1ccc(OC)c2ccccc12
InChIInChI=1S/C17H19NO2S/c1-3-10-18-16(19)11-21-17(18)14-8-9-15(20-2)13-7-5-4-6-12(13)14/h4-9,17H,3,10-11H2,1-2H3
InChIKeyDXLBFWSEXTUUIE-UHFFFAOYSA-N
XLogP3.83
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methoxynaphthalen-1-yl)-3-(3-methoxypropyl)-1,3-thiazolidin-4-one
CID 3684458
3-(2-ethylsulfanylethyl)-2-(2,3,4-trimethoxyphenyl)-1,3-thiazolidin-4-one
CID 3872207
3-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2,3,4-trimethoxyphenyl)-1,3-thiazolidin-4-one
CID 3494634
2-(2,3-dimethoxyphenyl)-3-(3-ethoxypropyl)-1,3-thiazolidin-4-one
CID 3388078
2-(1H-indol-3-yl)-3-propyl-1,3-thiazolidin-4-one
CID 4679955
3-[2-(4-methoxyphenoxy)ethyl]-2-(2,3,4-trimethoxyphenyl)-1,3-thiazolidin-4-one
CID 3814721
3-(cyclopropylmethyl)-2-(2,3,4-trimethoxyphenyl)-1,3-thiazolidin-4-one
CID 3856690
2-(2,3-dimethoxyphenyl)-3-[(3,4,5-trimethoxyphenyl)methyl]-1,3-thiazolidin-4-one
CID 3856405
3-[3-(diethylamino)propyl]-2-(2-methoxyphenyl)-1,3-thiazolidin-4-one
CID 3871093
2-(2,3-dimethoxyphenyl)-3-(2-pyridin-3-ylethyl)-1,3-thiazolidin-4-one
CID 3857422
2-(2,3-dimethoxyphenyl)-3-[(2,5-dimethoxyphenyl)methyl]-1,3-thiazolidin-4-one
CID 21103352
2-(2,6-dimethoxyphenyl)-3-(3-methoxypropyl)-1,3-thiazolidin-4-one
CID 3855111

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxynaphthalen-1-yl)-3-propyl-1,3-thiazolidin-4-one?
The IUPAC name of 2-(4-methoxynaphthalen-1-yl)-3-propyl-1,3-thiazolidin-4-one (CID 3824403) is 2-(4-methoxynaphthalen-1-yl)-3-propyl-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(4-methoxynaphthalen-1-yl)-3-propyl-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(4-methoxynaphthalen-1-yl)-3-propyl-1,3-thiazolidin-4-one is CCCN1C(=O)CSC1c1ccc(OC)c2ccccc12.
What is the InChIKey of 2-(4-methoxynaphthalen-1-yl)-3-propyl-1,3-thiazolidin-4-one?
The InChIKey is DXLBFWSEXTUUIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2S/c1-3-10-18-16(19)11-21-17(18)14-8-9-15(20-2)13-7-5-4-6-12(13)14/h4-9,17H,3,10-11H2,1-2H3.
What are the key properties of 2-(4-methoxynaphthalen-1-yl)-3-propyl-1,3-thiazolidin-4-one?
2-(4-methoxynaphthalen-1-yl)-3-propyl-1,3-thiazolidin-4-one has a molecular weight of 301.41 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxynaphthalen-1-yl)-3-propyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 3824403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).