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

C14H20ClFN2OS — CID 2872049

IUPAC3-[3-(dimethylamino)propyl]-2-(4-fluorophenyl)-1,3-thiazolidin-4-one;hydrochloride
SMILESCN(C)CCCN1C(=O)CSC1c1ccc(F)cc1.Cl
InChIInChI=1S/C14H19FN2OS.ClH/c1-16(2)8-3-9-17-13(18)10-19-14(17)11-4-6-12(15)7-5-11;/h4-7,14H,3,8-10H2,1-2H3;1H
InChIKeyBMMXKEZIZIATHR-UHFFFAOYSA-N
MW318.85 g/mol
LogP2.77
Rot. Bonds5

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

3-[3-(dimethylamino)propyl]-2-(4-fluorophenyl)-1,3-thiazolidin-4-one;hydrochloride (PubChem CID 2872049) has the molecular formula C14H20ClFN2OS and a molecular weight of 318.85 g/mol. Its IUPAC name is 3-[3-(dimethylamino)propyl]-2-(4-fluorophenyl)-1,3-thiazolidin-4-one;hydrochloride.

Molecular Properties

Compound Name3-[3-(dimethylamino)propyl]-2-(4-fluorophenyl)-1,3-thiazolidin-4-one;hydrochloride
PubChem CID2872049
Molecular FormulaC14H20ClFN2OS
Molecular Weight318.85 g/mol
Exact Mass318.10
IUPAC Name3-[3-(dimethylamino)propyl]-2-(4-fluorophenyl)-1,3-thiazolidin-4-one;hydrochloride
SMILESCN(C)CCCN1C(=O)CSC1c1ccc(F)cc1.Cl
InChIInChI=1S/C14H19FN2OS.ClH/c1-16(2)8-3-9-17-13(18)10-19-14(17)11-4-6-12(15)7-5-11;/h4-7,14H,3,8-10H2,1-2H3;1H
InChIKeyBMMXKEZIZIATHR-UHFFFAOYSA-N
XLogP2.77
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.85
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(dimethylamino)propyl]-2-(4-fluorophenyl)-1,3-thiazolidin-4-one;hydrochloride?
The IUPAC name of 3-[3-(dimethylamino)propyl]-2-(4-fluorophenyl)-1,3-thiazolidin-4-one;hydrochloride (CID 2872049) is 3-[3-(dimethylamino)propyl]-2-(4-fluorophenyl)-1,3-thiazolidin-4-one;hydrochloride.
What is the SMILES notation for 3-[3-(dimethylamino)propyl]-2-(4-fluorophenyl)-1,3-thiazolidin-4-one;hydrochloride?
The canonical SMILES for 3-[3-(dimethylamino)propyl]-2-(4-fluorophenyl)-1,3-thiazolidin-4-one;hydrochloride is CN(C)CCCN1C(=O)CSC1c1ccc(F)cc1.Cl.
What is the InChIKey of 3-[3-(dimethylamino)propyl]-2-(4-fluorophenyl)-1,3-thiazolidin-4-one;hydrochloride?
The InChIKey is BMMXKEZIZIATHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2OS.ClH/c1-16(2)8-3-9-17-13(18)10-19-14(17)11-4-6-12(15)7-5-11;/h4-7,14H,3,8-10H2,1-2H3;1H.
What are the key properties of 3-[3-(dimethylamino)propyl]-2-(4-fluorophenyl)-1,3-thiazolidin-4-one;hydrochloride?
3-[3-(dimethylamino)propyl]-2-(4-fluorophenyl)-1,3-thiazolidin-4-one;hydrochloride has a molecular weight of 318.85 g/mol, XLogP of 2.77, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(dimethylamino)propyl]-2-(4-fluorophenyl)-1,3-thiazolidin-4-one;hydrochloride is sourced from PubChem (CID 2872049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).