3-[2-(dimethylamino)ethyl]-5-(3-hydroxypropyl)-2-pyridin-3-yl-1,3-thiazolidin-4-one

C15H23N3O2S — CID 15171473

IUPAC3-[2-(dimethylamino)ethyl]-5-(3-hydroxypropyl)-2-pyridin-3-yl-1,3-thiazolidin-4-one
SMILESCN(C)CCN1C(=O)C(CCCO)SC1c1cccnc1
InChIInChI=1S/C15H23N3O2S/c1-17(2)8-9-18-14(20)13(6-4-10-19)21-15(18)12-5-3-7-16-11-12/h3,5,7,11,13,15,19H,4,6,8-10H2,1-2H3
InChIKeyZGFSWTGEZRSISO-UHFFFAOYSA-N
MW309.44 g/mol
LogP1.36
Rot. Bonds7

About 3-[2-(dimethylamino)ethyl]-5-(3-hydroxypropyl)-2-pyridin-3-yl-1,3-thiazolidin-4-one

3-[2-(dimethylamino)ethyl]-5-(3-hydroxypropyl)-2-pyridin-3-yl-1,3-thiazolidin-4-one (PubChem CID 15171473) has the molecular formula C15H23N3O2S and a molecular weight of 309.44 g/mol. Its IUPAC name is 3-[2-(dimethylamino)ethyl]-5-(3-hydroxypropyl)-2-pyridin-3-yl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-[2-(dimethylamino)ethyl]-5-(3-hydroxypropyl)-2-pyridin-3-yl-1,3-thiazolidin-4-one
PubChem CID15171473
Molecular FormulaC15H23N3O2S
Molecular Weight309.44 g/mol
Exact Mass309.15
IUPAC Name3-[2-(dimethylamino)ethyl]-5-(3-hydroxypropyl)-2-pyridin-3-yl-1,3-thiazolidin-4-one
SMILESCN(C)CCN1C(=O)C(CCCO)SC1c1cccnc1
InChIInChI=1S/C15H23N3O2S/c1-17(2)8-9-18-14(20)13(6-4-10-19)21-15(18)12-5-3-7-16-11-12/h3,5,7,11,13,15,19H,4,6,8-10H2,1-2H3
InChIKeyZGFSWTGEZRSISO-UHFFFAOYSA-N
XLogP1.36
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)ethyl]-5-(3-hydroxypropyl)-2-pyridin-3-yl-1,3-thiazolidin-4-one?
The IUPAC name of 3-[2-(dimethylamino)ethyl]-5-(3-hydroxypropyl)-2-pyridin-3-yl-1,3-thiazolidin-4-one (CID 15171473) is 3-[2-(dimethylamino)ethyl]-5-(3-hydroxypropyl)-2-pyridin-3-yl-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-[2-(dimethylamino)ethyl]-5-(3-hydroxypropyl)-2-pyridin-3-yl-1,3-thiazolidin-4-one?
The canonical SMILES for 3-[2-(dimethylamino)ethyl]-5-(3-hydroxypropyl)-2-pyridin-3-yl-1,3-thiazolidin-4-one is CN(C)CCN1C(=O)C(CCCO)SC1c1cccnc1.
What is the InChIKey of 3-[2-(dimethylamino)ethyl]-5-(3-hydroxypropyl)-2-pyridin-3-yl-1,3-thiazolidin-4-one?
The InChIKey is ZGFSWTGEZRSISO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2S/c1-17(2)8-9-18-14(20)13(6-4-10-19)21-15(18)12-5-3-7-16-11-12/h3,5,7,11,13,15,19H,4,6,8-10H2,1-2H3.
What are the key properties of 3-[2-(dimethylamino)ethyl]-5-(3-hydroxypropyl)-2-pyridin-3-yl-1,3-thiazolidin-4-one?
3-[2-(dimethylamino)ethyl]-5-(3-hydroxypropyl)-2-pyridin-3-yl-1,3-thiazolidin-4-one has a molecular weight of 309.44 g/mol, XLogP of 1.36, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)ethyl]-5-(3-hydroxypropyl)-2-pyridin-3-yl-1,3-thiazolidin-4-one is sourced from PubChem (CID 15171473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).