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

C18H21NO3S — CID 3684458

IUPAC2-(4-methoxynaphthalen-1-yl)-3-(3-methoxypropyl)-1,3-thiazolidin-4-one
SMILESCOCCCN1C(=O)CSC1c1ccc(OC)c2ccccc12
InChIInChI=1S/C18H21NO3S/c1-21-11-5-10-19-17(20)12-23-18(19)15-8-9-16(22-2)14-7-4-3-6-13(14)15/h3-4,6-9,18H,5,10-12H2,1-2H3
InChIKeyFTYUYJNBONNNFE-UHFFFAOYSA-N
MW331.44 g/mol
LogP3.46
Rot. Bonds6

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

2-(4-methoxynaphthalen-1-yl)-3-(3-methoxypropyl)-1,3-thiazolidin-4-one (PubChem CID 3684458) has the molecular formula C18H21NO3S and a molecular weight of 331.44 g/mol. Its IUPAC name is 2-(4-methoxynaphthalen-1-yl)-3-(3-methoxypropyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(4-methoxynaphthalen-1-yl)-3-(3-methoxypropyl)-1,3-thiazolidin-4-one
PubChem CID3684458
Molecular FormulaC18H21NO3S
Molecular Weight331.44 g/mol
Exact Mass331.12
IUPAC Name2-(4-methoxynaphthalen-1-yl)-3-(3-methoxypropyl)-1,3-thiazolidin-4-one
SMILESCOCCCN1C(=O)CSC1c1ccc(OC)c2ccccc12
InChIInChI=1S/C18H21NO3S/c1-21-11-5-10-19-17(20)12-23-18(19)15-8-9-16(22-2)14-7-4-3-6-13(14)15/h3-4,6-9,18H,5,10-12H2,1-2H3
InChIKeyFTYUYJNBONNNFE-UHFFFAOYSA-N
XLogP3.46
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-methoxynaphthalen-1-yl)-3-propyl-1,3-thiazolidin-4-one
CID 3824403
2-(2,6-dimethoxyphenyl)-3-(3-methoxypropyl)-1,3-thiazolidin-4-one
CID 3855111
2-(2,3-dimethoxyphenyl)-3-(3-ethoxypropyl)-1,3-thiazolidin-4-one
CID 3388078
3-(3-methoxypropyl)-2-(2-methylphenyl)-1,3-thiazolidin-4-one
CID 3849809
3-[2-(4-methoxyphenoxy)ethyl]-2-(2,3,4-trimethoxyphenyl)-1,3-thiazolidin-4-one
CID 3814721
3-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2,3,4-trimethoxyphenyl)-1,3-thiazolidin-4-one
CID 3494634
2-(2,6-dimethoxyphenyl)-3-(3-ethoxypropyl)-1,3-thiazolidin-4-one
CID 3853448
2-(2,5-dimethoxyphenyl)-3-(2-methoxyethyl)-1,3-thiazolidin-4-one
CID 4686423
3-(2-ethylsulfanylethyl)-2-(2,3,4-trimethoxyphenyl)-1,3-thiazolidin-4-one
CID 3872207
3-(2-methoxyethyl)-2-(2,3,4-trimethoxyphenyl)-1,3-thiazinan-4-one
CID 3505404
3-(3-methoxypropyl)-2-pyridin-4-yl-1,3-thiazolidin-4-one
CID 3670137
3-(cyclopropylmethyl)-2-(2,3,4-trimethoxyphenyl)-1,3-thiazolidin-4-one
CID 3856690

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxynaphthalen-1-yl)-3-(3-methoxypropyl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-(4-methoxynaphthalen-1-yl)-3-(3-methoxypropyl)-1,3-thiazolidin-4-one (CID 3684458) is 2-(4-methoxynaphthalen-1-yl)-3-(3-methoxypropyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(4-methoxynaphthalen-1-yl)-3-(3-methoxypropyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(4-methoxynaphthalen-1-yl)-3-(3-methoxypropyl)-1,3-thiazolidin-4-one is COCCCN1C(=O)CSC1c1ccc(OC)c2ccccc12.
What is the InChIKey of 2-(4-methoxynaphthalen-1-yl)-3-(3-methoxypropyl)-1,3-thiazolidin-4-one?
The InChIKey is FTYUYJNBONNNFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3S/c1-21-11-5-10-19-17(20)12-23-18(19)15-8-9-16(22-2)14-7-4-3-6-13(14)15/h3-4,6-9,18H,5,10-12H2,1-2H3.
What are the key properties of 2-(4-methoxynaphthalen-1-yl)-3-(3-methoxypropyl)-1,3-thiazolidin-4-one?
2-(4-methoxynaphthalen-1-yl)-3-(3-methoxypropyl)-1,3-thiazolidin-4-one has a molecular weight of 331.44 g/mol, XLogP of 3.46, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxynaphthalen-1-yl)-3-(3-methoxypropyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 3684458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).