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

C14H19FN2OS — CID 876033

IUPAC(2R)-3-[3-(dimethylamino)propyl]-2-(4-fluorophenyl)-1,3-thiazolidin-4-one
SMILESCN(C)CCCN1C(=O)CS[C@@H]1c1ccc(F)cc1
InChIInChI=1S/C14H19FN2OS/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/t14-/m1/s1
InChIKeyYJKWFOWTUKOVGQ-CQSZACIVSA-N
MW282.38 g/mol
LogP2.35
Rot. Bonds5

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

(2R)-3-[3-(dimethylamino)propyl]-2-(4-fluorophenyl)-1,3-thiazolidin-4-one (PubChem CID 876033) has the molecular formula C14H19FN2OS and a molecular weight of 282.38 g/mol. Its IUPAC name is (2R)-3-[3-(dimethylamino)propyl]-2-(4-fluorophenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2R)-3-[3-(dimethylamino)propyl]-2-(4-fluorophenyl)-1,3-thiazolidin-4-one
PubChem CID876033
Molecular FormulaC14H19FN2OS
Molecular Weight282.38 g/mol
Exact Mass282.12
IUPAC Name(2R)-3-[3-(dimethylamino)propyl]-2-(4-fluorophenyl)-1,3-thiazolidin-4-one
SMILESCN(C)CCCN1C(=O)CS[C@@H]1c1ccc(F)cc1
InChIInChI=1S/C14H19FN2OS/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/t14-/m1/s1
InChIKeyYJKWFOWTUKOVGQ-CQSZACIVSA-N
XLogP2.35
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-(dimethylamino)propyl]-2-(4-methylphenyl)-1,3-thiazolidin-4-one;hydrochloride
CID 5341962
(2R)-2-(4-chlorophenyl)-3-[3-(dimethylamino)propyl]-1,3-thiazolidin-4-one
CID 749265
2-(3,4-dichlorophenyl)-3-[3-(dimethylamino)propyl]-1,3-thiazolidin-4-one;hydrochloride
CID 2861654
3-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]propanenitrile
CID 42612293
1-[2-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-1-methyl-3-propan-2-ylurea
CID 42814572
3-[2-(dimethylamino)ethyl]-2-(4-ethoxyphenyl)-1,3-thiazolidin-4-one
CID 23938288
2-(4-fluorophenyl)-3-[2-(4-methoxyphenyl)ethyl]-1,3-thiazolidin-4-one
CID 4788849
2-(2,4-dichlorophenyl)-3-[3-(dimethylamino)propyl]-1,3-thiazolidin-4-one
CID 3792861
3-[3-(dimethylamino)propyl]-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one
CID 3474517
3-[(4-fluorophenyl)methyl]-2-(4-methylsulfanylphenyl)-1,3-thiazolidin-4-one
CID 3669039
3-[2-(diethylamino)ethyl]-2-[4-(dimethylamino)phenyl]-1,3-thiazolidin-4-one
CID 23822864
2-[4-(dimethylamino)phenyl]-3-(3-ethoxypropyl)-1,3-thiazolidin-4-one
CID 3667879

Frequently Asked Questions

What is the IUPAC name of (2R)-3-[3-(dimethylamino)propyl]-2-(4-fluorophenyl)-1,3-thiazolidin-4-one?
The IUPAC name of (2R)-3-[3-(dimethylamino)propyl]-2-(4-fluorophenyl)-1,3-thiazolidin-4-one (CID 876033) is (2R)-3-[3-(dimethylamino)propyl]-2-(4-fluorophenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for (2R)-3-[3-(dimethylamino)propyl]-2-(4-fluorophenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for (2R)-3-[3-(dimethylamino)propyl]-2-(4-fluorophenyl)-1,3-thiazolidin-4-one is CN(C)CCCN1C(=O)CS[C@@H]1c1ccc(F)cc1.
What is the InChIKey of (2R)-3-[3-(dimethylamino)propyl]-2-(4-fluorophenyl)-1,3-thiazolidin-4-one?
The InChIKey is YJKWFOWTUKOVGQ-CQSZACIVSA-N. The full InChI is InChI=1S/C14H19FN2OS/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/t14-/m1/s1.
What are the key properties of (2R)-3-[3-(dimethylamino)propyl]-2-(4-fluorophenyl)-1,3-thiazolidin-4-one?
(2R)-3-[3-(dimethylamino)propyl]-2-(4-fluorophenyl)-1,3-thiazolidin-4-one has a molecular weight of 282.38 g/mol, XLogP of 2.35, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-[3-(dimethylamino)propyl]-2-(4-fluorophenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 876033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).