2-(3,4-dichlorophenyl)-3-[2-(methylamino)ethyl]-1,3-thiazolidin-4-one

C12H14Cl2N2OS — CID 42795811

IUPAC2-(3,4-dichlorophenyl)-3-[2-(methylamino)ethyl]-1,3-thiazolidin-4-one
SMILESCNCCN1C(=O)CSC1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H14Cl2N2OS/c1-15-4-5-16-11(17)7-18-12(16)8-2-3-9(13)10(14)6-8/h2-3,6,12,15H,4-5,7H2,1H3
InChIKeySIDOWXYWVCGAFK-UHFFFAOYSA-N
MW305.23 g/mol
LogP2.79
Rot. Bonds4

About 2-(3,4-dichlorophenyl)-3-[2-(methylamino)ethyl]-1,3-thiazolidin-4-one

2-(3,4-dichlorophenyl)-3-[2-(methylamino)ethyl]-1,3-thiazolidin-4-one (PubChem CID 42795811) has the molecular formula C12H14Cl2N2OS and a molecular weight of 305.23 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-3-[2-(methylamino)ethyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-3-[2-(methylamino)ethyl]-1,3-thiazolidin-4-one
PubChem CID42795811
Molecular FormulaC12H14Cl2N2OS
Molecular Weight305.23 g/mol
Exact Mass304.02
IUPAC Name2-(3,4-dichlorophenyl)-3-[2-(methylamino)ethyl]-1,3-thiazolidin-4-one
SMILESCNCCN1C(=O)CSC1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H14Cl2N2OS/c1-15-4-5-16-11(17)7-18-12(16)8-2-3-9(13)10(14)6-8/h2-3,6,12,15H,4-5,7H2,1H3
InChIKeySIDOWXYWVCGAFK-UHFFFAOYSA-N
XLogP2.79
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.23
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dichlorophenyl)-3-[3-(dimethylamino)propyl]-1,3-thiazolidin-4-one;hydrochloride
CID 2861654
(2S)-2-(3,4-dichlorophenyl)-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-4-one
CID 1372058
2-(3,4-dichlorophenyl)-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-4-one;hydrochloride
CID 2871934
(2S)-2-(4-chlorophenyl)-3-[2-[(2R)-2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-1,3-thiazolidin-4-one
CID 1207971
2-(3,4-dichlorophenyl)-3-hydroxy-1,3-thiazolidin-4-one
CID 71423757
2-(3,4-dichlorophenyl)-3-[(1-propanoylpiperidin-4-yl)methyl]-1,3-thiazolidin-4-one
CID 42814618
2-(4-methoxyphenyl)-3-[2-(propan-2-ylamino)ethyl]-1,3-thiazolidin-4-one
CID 42815102
(2R)-2-(3-methylphenyl)-3-[2-(propan-2-ylamino)ethyl]-1,3-thiazolidin-4-one
CID 93072504
(2R)-2-(3-fluorophenyl)-3-[2-[(2R)-2-(3-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-1,3-thiazolidin-4-one
CID 3066277
2-(3-chloro-4-fluorophenyl)-3-[(2,3,4-trifluorophenyl)methyl]-1,3-thiazolidin-4-one
CID 5164631
2-[(2S)-2-(3,4-dichlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-N-(furan-2-ylmethyl)acetamide
CID 93143235
3-[[1-(cyclopropanecarbonyl)piperidin-4-yl]methyl]-2-(3,4-dichlorophenyl)-1,3-thiazolidin-4-one
CID 42814619

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-3-[2-(methylamino)ethyl]-1,3-thiazolidin-4-one?
The IUPAC name of 2-(3,4-dichlorophenyl)-3-[2-(methylamino)ethyl]-1,3-thiazolidin-4-one (CID 42795811) is 2-(3,4-dichlorophenyl)-3-[2-(methylamino)ethyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-3-[2-(methylamino)ethyl]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(3,4-dichlorophenyl)-3-[2-(methylamino)ethyl]-1,3-thiazolidin-4-one is CNCCN1C(=O)CSC1c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-3-[2-(methylamino)ethyl]-1,3-thiazolidin-4-one?
The InChIKey is SIDOWXYWVCGAFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N2OS/c1-15-4-5-16-11(17)7-18-12(16)8-2-3-9(13)10(14)6-8/h2-3,6,12,15H,4-5,7H2,1H3.
What are the key properties of 2-(3,4-dichlorophenyl)-3-[2-(methylamino)ethyl]-1,3-thiazolidin-4-one?
2-(3,4-dichlorophenyl)-3-[2-(methylamino)ethyl]-1,3-thiazolidin-4-one has a molecular weight of 305.23 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-3-[2-(methylamino)ethyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 42795811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).