3-[3-(dimethylamino)propyl]-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one;hydrochloride

C17H27ClN2O4S — CID 2861396

IUPAC3-[3-(dimethylamino)propyl]-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one;hydrochloride
SMILESCOc1cc(C2SCC(=O)N2CCCN(C)C)cc(OC)c1OC.Cl
InChIInChI=1S/C17H26N2O4S.ClH/c1-18(2)7-6-8-19-15(20)11-24-17(19)12-9-13(21-3)16(23-5)14(10-12)22-4;/h9-10,17H,6-8,11H2,1-5H3;1H
InChIKeyZORULPYKLXTDSH-UHFFFAOYSA-N
MW390.93 g/mol
LogP2.66
Rot. Bonds8

About 3-[3-(dimethylamino)propyl]-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one;hydrochloride

3-[3-(dimethylamino)propyl]-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one;hydrochloride (PubChem CID 2861396) has the molecular formula C17H27ClN2O4S and a molecular weight of 390.93 g/mol. Its IUPAC name is 3-[3-(dimethylamino)propyl]-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one;hydrochloride.

Molecular Properties

Compound Name3-[3-(dimethylamino)propyl]-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one;hydrochloride
PubChem CID2861396
Molecular FormulaC17H27ClN2O4S
Molecular Weight390.93 g/mol
Exact Mass390.14
IUPAC Name3-[3-(dimethylamino)propyl]-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one;hydrochloride
SMILESCOc1cc(C2SCC(=O)N2CCCN(C)C)cc(OC)c1OC.Cl
InChIInChI=1S/C17H26N2O4S.ClH/c1-18(2)7-6-8-19-15(20)11-24-17(19)12-9-13(21-3)16(23-5)14(10-12)22-4;/h9-10,17H,6-8,11H2,1-5H3;1H
InChIKeyZORULPYKLXTDSH-UHFFFAOYSA-N
XLogP2.66
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.93
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(dimethylamino)propyl]-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one;hydrochloride?
The IUPAC name of 3-[3-(dimethylamino)propyl]-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one;hydrochloride (CID 2861396) is 3-[3-(dimethylamino)propyl]-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one;hydrochloride.
What is the SMILES notation for 3-[3-(dimethylamino)propyl]-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one;hydrochloride?
The canonical SMILES for 3-[3-(dimethylamino)propyl]-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one;hydrochloride is COc1cc(C2SCC(=O)N2CCCN(C)C)cc(OC)c1OC.Cl.
What is the InChIKey of 3-[3-(dimethylamino)propyl]-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one;hydrochloride?
The InChIKey is ZORULPYKLXTDSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4S.ClH/c1-18(2)7-6-8-19-15(20)11-24-17(19)12-9-13(21-3)16(23-5)14(10-12)22-4;/h9-10,17H,6-8,11H2,1-5H3;1H.
What are the key properties of 3-[3-(dimethylamino)propyl]-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one;hydrochloride?
3-[3-(dimethylamino)propyl]-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one;hydrochloride has a molecular weight of 390.93 g/mol, XLogP of 2.66, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(dimethylamino)propyl]-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one;hydrochloride is sourced from PubChem (CID 2861396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).