3-[3-(dimethylamino)propyl]-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one;hydrochloride

C15H23ClN2O2S — CID 2860932

IUPAC3-[3-(dimethylamino)propyl]-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one;hydrochloride
SMILESCOc1ccc(C2SCC(=O)N2CCCN(C)C)cc1.Cl
InChIInChI=1S/C15H22N2O2S.ClH/c1-16(2)9-4-10-17-14(18)11-20-15(17)12-5-7-13(19-3)8-6-12;/h5-8,15H,4,9-11H2,1-3H3;1H
InChIKeyDVSVOPOYSZEXNR-UHFFFAOYSA-N
MW330.88 g/mol
LogP2.64
Rot. Bonds6

About 3-[3-(dimethylamino)propyl]-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one;hydrochloride

3-[3-(dimethylamino)propyl]-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one;hydrochloride (PubChem CID 2860932) has the molecular formula C15H23ClN2O2S and a molecular weight of 330.88 g/mol. Its IUPAC name is 3-[3-(dimethylamino)propyl]-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one;hydrochloride.

Molecular Properties

Compound Name3-[3-(dimethylamino)propyl]-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one;hydrochloride
PubChem CID2860932
Molecular FormulaC15H23ClN2O2S
Molecular Weight330.88 g/mol
Exact Mass330.12
IUPAC Name3-[3-(dimethylamino)propyl]-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one;hydrochloride
SMILESCOc1ccc(C2SCC(=O)N2CCCN(C)C)cc1.Cl
InChIInChI=1S/C15H22N2O2S.ClH/c1-16(2)9-4-10-17-14(18)11-20-15(17)12-5-7-13(19-3)8-6-12;/h5-8,15H,4,9-11H2,1-3H3;1H
InChIKeyDVSVOPOYSZEXNR-UHFFFAOYSA-N
XLogP2.64
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.88
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(dimethylamino)propyl]-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one;hydrochloride?
The IUPAC name of 3-[3-(dimethylamino)propyl]-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one;hydrochloride (CID 2860932) is 3-[3-(dimethylamino)propyl]-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one;hydrochloride.
What is the SMILES notation for 3-[3-(dimethylamino)propyl]-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one;hydrochloride?
The canonical SMILES for 3-[3-(dimethylamino)propyl]-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one;hydrochloride is COc1ccc(C2SCC(=O)N2CCCN(C)C)cc1.Cl.
What is the InChIKey of 3-[3-(dimethylamino)propyl]-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one;hydrochloride?
The InChIKey is DVSVOPOYSZEXNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S.ClH/c1-16(2)9-4-10-17-14(18)11-20-15(17)12-5-7-13(19-3)8-6-12;/h5-8,15H,4,9-11H2,1-3H3;1H.
What are the key properties of 3-[3-(dimethylamino)propyl]-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one;hydrochloride?
3-[3-(dimethylamino)propyl]-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one;hydrochloride has a molecular weight of 330.88 g/mol, XLogP of 2.64, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(dimethylamino)propyl]-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one;hydrochloride is sourced from PubChem (CID 2860932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).