3-[3-(diethylamino)propyl]-2-(2-methoxyphenyl)-1,3-thiazolidin-4-one

C17H26N2O2S — CID 3871093

IUPAC3-[3-(diethylamino)propyl]-2-(2-methoxyphenyl)-1,3-thiazolidin-4-one
SMILESCCN(CC)CCCN1C(=O)CSC1c1ccccc1OC
InChIInChI=1S/C17H26N2O2S/c1-4-18(5-2)11-8-12-19-16(20)13-22-17(19)14-9-6-7-10-15(14)21-3/h6-7,9-10,17H,4-5,8,11-13H2,1-3H3
InChIKeyMRZFXOXGRVNCJQ-UHFFFAOYSA-N
MW322.47 g/mol
LogP3.00
Rot. Bonds8

About 3-[3-(diethylamino)propyl]-2-(2-methoxyphenyl)-1,3-thiazolidin-4-one

3-[3-(diethylamino)propyl]-2-(2-methoxyphenyl)-1,3-thiazolidin-4-one (PubChem CID 3871093) has the molecular formula C17H26N2O2S and a molecular weight of 322.47 g/mol. Its IUPAC name is 3-[3-(diethylamino)propyl]-2-(2-methoxyphenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-[3-(diethylamino)propyl]-2-(2-methoxyphenyl)-1,3-thiazolidin-4-one
PubChem CID3871093
Molecular FormulaC17H26N2O2S
Molecular Weight322.47 g/mol
Exact Mass322.17
IUPAC Name3-[3-(diethylamino)propyl]-2-(2-methoxyphenyl)-1,3-thiazolidin-4-one
SMILESCCN(CC)CCCN1C(=O)CSC1c1ccccc1OC
InChIInChI=1S/C17H26N2O2S/c1-4-18(5-2)11-8-12-19-16(20)13-22-17(19)14-9-6-7-10-15(14)21-3/h6-7,9-10,17H,4-5,8,11-13H2,1-3H3
InChIKeyMRZFXOXGRVNCJQ-UHFFFAOYSA-N
XLogP3.00
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.47
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-(diethylamino)propyl]-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one
CID 23794155
3-[3-(dimethylamino)propyl]-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one
CID 3474517
2-(2,3-dimethoxyphenyl)-3-(3-ethoxypropyl)-1,3-thiazolidin-4-one
CID 3388078
2-(2-methoxyphenyl)-3-(pyridin-4-ylmethyl)-1,3-thiazolidin-4-one
CID 3520509
2-(3-bromothiophen-2-yl)-3-[3-(diethylamino)propyl]-1,3-thiazolidin-4-one
CID 5150955
2-(2,6-dimethoxyphenyl)-3-(3-methoxypropyl)-1,3-thiazolidin-4-one
CID 3855111
2-(2,6-dimethoxyphenyl)-3-(3-ethoxypropyl)-1,3-thiazolidin-4-one
CID 3853448
2-(4-methoxynaphthalen-1-yl)-3-propyl-1,3-thiazolidin-4-one
CID 3824403
2-(4-methoxynaphthalen-1-yl)-3-(3-methoxypropyl)-1,3-thiazolidin-4-one
CID 3684458
3-[(2,5-dimethoxyphenyl)methyl]-2-(2-methoxyphenyl)-1,3-thiazolidin-4-one
CID 3792643
3-[2-(diethylamino)ethyl]-2-(3-ethoxy-4-methoxyphenyl)-1,3-thiazolidin-4-one
CID 23854988
3-(3-methoxypropyl)-2-(2-methylphenyl)-1,3-thiazolidin-4-one
CID 3849809

Frequently Asked Questions

What is the IUPAC name of 3-[3-(diethylamino)propyl]-2-(2-methoxyphenyl)-1,3-thiazolidin-4-one?
The IUPAC name of 3-[3-(diethylamino)propyl]-2-(2-methoxyphenyl)-1,3-thiazolidin-4-one (CID 3871093) is 3-[3-(diethylamino)propyl]-2-(2-methoxyphenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-[3-(diethylamino)propyl]-2-(2-methoxyphenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 3-[3-(diethylamino)propyl]-2-(2-methoxyphenyl)-1,3-thiazolidin-4-one is CCN(CC)CCCN1C(=O)CSC1c1ccccc1OC.
What is the InChIKey of 3-[3-(diethylamino)propyl]-2-(2-methoxyphenyl)-1,3-thiazolidin-4-one?
The InChIKey is MRZFXOXGRVNCJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2S/c1-4-18(5-2)11-8-12-19-16(20)13-22-17(19)14-9-6-7-10-15(14)21-3/h6-7,9-10,17H,4-5,8,11-13H2,1-3H3.
What are the key properties of 3-[3-(diethylamino)propyl]-2-(2-methoxyphenyl)-1,3-thiazolidin-4-one?
3-[3-(diethylamino)propyl]-2-(2-methoxyphenyl)-1,3-thiazolidin-4-one has a molecular weight of 322.47 g/mol, XLogP of 3.00, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(diethylamino)propyl]-2-(2-methoxyphenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 3871093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).