2-(3-chloro-4-fluorophenyl)-3-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-1,3-thiazolidin-4-one

C19H22ClFN2O2S2 — CID 3741915

IUPAC2-(3-chloro-4-fluorophenyl)-3-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-1,3-thiazolidin-4-one
SMILESCN(C)Cc1ccc(CSCCN2C(=O)CSC2c2ccc(F)c(Cl)c2)o1
InChIInChI=1S/C19H22ClFN2O2S2/c1-22(2)10-14-4-5-15(25-14)11-26-8-7-23-18(24)12-27-19(23)13-3-6-17(21)16(20)9-13/h3-6,9,19H,7-8,10-12H2,1-2H3
InChIKeyCSUXCPFZEVDZEC-UHFFFAOYSA-N
MW428.98 g/mol
LogP4.64
Rot. Bonds8

About 2-(3-chloro-4-fluorophenyl)-3-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-1,3-thiazolidin-4-one

2-(3-chloro-4-fluorophenyl)-3-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-1,3-thiazolidin-4-one (PubChem CID 3741915) has the molecular formula C19H22ClFN2O2S2 and a molecular weight of 428.98 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenyl)-3-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenyl)-3-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-1,3-thiazolidin-4-one
PubChem CID3741915
Molecular FormulaC19H22ClFN2O2S2
Molecular Weight428.98 g/mol
Exact Mass428.08
IUPAC Name2-(3-chloro-4-fluorophenyl)-3-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-1,3-thiazolidin-4-one
SMILESCN(C)Cc1ccc(CSCCN2C(=O)CSC2c2ccc(F)c(Cl)c2)o1
InChIInChI=1S/C19H22ClFN2O2S2/c1-22(2)10-14-4-5-15(25-14)11-26-8-7-23-18(24)12-27-19(23)13-3-6-17(21)16(20)9-13/h3-6,9,19H,7-8,10-12H2,1-2H3
InChIKeyCSUXCPFZEVDZEC-UHFFFAOYSA-N
XLogP4.64
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.98
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-chloro-4-(dimethylamino)phenyl]-3-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-1,3-thiazolidin-4-one
CID 3822103
3-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-2-(5-methylfuran-2-yl)-1,3-thiazolidin-4-one
CID 4686422
3-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-2-(7-methoxy-1,3-benzodioxol-5-yl)-1,3-thiazolidin-4-one
CID 3271724
2-(5-chloro-2-hydroxyphenyl)-3-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-1,3-thiazinan-4-one
CID 3264099
2-(1,3-benzodioxol-4-yl)-3-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-1,3-thiazolidin-4-one
CID 3815213
3-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-2-(3-ethoxy-4-hydroxyphenyl)-1,3-thiazinan-4-one
CID 3701374
2-(3-chloro-4-fluorophenyl)-3-[(2,3,4-trifluorophenyl)methyl]-1,3-thiazolidin-4-one
CID 5164631
(2R)-2-(4-chlorophenyl)-3-[3-(dimethylamino)propyl]-1,3-thiazolidin-4-one
CID 749265
(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-[3-(dimethylamino)propyl]-1,3-thiazolidin-4-one;hydrochloride
CID 2861654
1-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-3-methylpyrrolidine-2,5-dione
CID 134149165
2-(3,4-dichlorophenyl)-3-[2-(methylamino)ethyl]-1,3-thiazolidin-4-one
CID 42795811

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenyl)-3-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-1,3-thiazolidin-4-one?
The IUPAC name of 2-(3-chloro-4-fluorophenyl)-3-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-1,3-thiazolidin-4-one (CID 3741915) is 2-(3-chloro-4-fluorophenyl)-3-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(3-chloro-4-fluorophenyl)-3-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(3-chloro-4-fluorophenyl)-3-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-1,3-thiazolidin-4-one is CN(C)Cc1ccc(CSCCN2C(=O)CSC2c2ccc(F)c(Cl)c2)o1.
What is the InChIKey of 2-(3-chloro-4-fluorophenyl)-3-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-1,3-thiazolidin-4-one?
The InChIKey is CSUXCPFZEVDZEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClFN2O2S2/c1-22(2)10-14-4-5-15(25-14)11-26-8-7-23-18(24)12-27-19(23)13-3-6-17(21)16(20)9-13/h3-6,9,19H,7-8,10-12H2,1-2H3.
What are the key properties of 2-(3-chloro-4-fluorophenyl)-3-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-1,3-thiazolidin-4-one?
2-(3-chloro-4-fluorophenyl)-3-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-1,3-thiazolidin-4-one has a molecular weight of 428.98 g/mol, XLogP of 4.64, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenyl)-3-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 3741915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).