ethyl 2-(4-chlorophenyl)-3-(4-fluorobenzoyl)-1,3-thiazolidine-4-carboxylate

C19H17ClFNO3S — CID 42727802

IUPACethyl 2-(4-chlorophenyl)-3-(4-fluorobenzoyl)-1,3-thiazolidine-4-carboxylate
SMILESCCOC(=O)C1CSC(c2ccc(Cl)cc2)N1C(=O)c1ccc(F)cc1
InChIInChI=1S/C19H17ClFNO3S/c1-2-25-19(24)16-11-26-18(13-3-7-14(20)8-4-13)22(16)17(23)12-5-9-15(21)10-6-12/h3-10,16,18H,2,11H2,1H3
InChIKeyYJMOVLKXZLTWLL-UHFFFAOYSA-N
MW393.87 g/mol
LogP4.30
Rot. Bonds4

About ethyl 2-(4-chlorophenyl)-3-(4-fluorobenzoyl)-1,3-thiazolidine-4-carboxylate

ethyl 2-(4-chlorophenyl)-3-(4-fluorobenzoyl)-1,3-thiazolidine-4-carboxylate (PubChem CID 42727802) has the molecular formula C19H17ClFNO3S and a molecular weight of 393.87 g/mol. Its IUPAC name is ethyl 2-(4-chlorophenyl)-3-(4-fluorobenzoyl)-1,3-thiazolidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-(4-chlorophenyl)-3-(4-fluorobenzoyl)-1,3-thiazolidine-4-carboxylate
PubChem CID42727802
Molecular FormulaC19H17ClFNO3S
Molecular Weight393.87 g/mol
Exact Mass393.06
IUPAC Nameethyl 2-(4-chlorophenyl)-3-(4-fluorobenzoyl)-1,3-thiazolidine-4-carboxylate
SMILESCCOC(=O)C1CSC(c2ccc(Cl)cc2)N1C(=O)c1ccc(F)cc1
InChIInChI=1S/C19H17ClFNO3S/c1-2-25-19(24)16-11-26-18(13-3-7-14(20)8-4-13)22(16)17(23)12-5-9-15(21)10-6-12/h3-10,16,18H,2,11H2,1H3
InChIKeyYJMOVLKXZLTWLL-UHFFFAOYSA-N
XLogP4.30
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.87
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2S,4R)-2-(4-chlorophenyl)-3-(4-methylbenzoyl)-1,3-thiazolidine-4-carboxylate
CID 1477729
(2R,4R)-3-(4-chlorobenzoyl)-2-(4-fluorophenyl)-N-propan-2-yl-1,3-thiazolidine-4-carboxamide
CID 1195498
(2S,4S)-3-(4-chlorobenzoyl)-2-(4-fluorophenyl)-N-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
CID 1195491
propyl 3-(2,4-dichlorobenzoyl)-2-(4-fluorophenyl)-1,3-thiazolidine-4-carboxylate
CID 42728427
methyl 2-(3,4-dichlorophenyl)-3-(4-fluorobenzoyl)-1,3-thiazolidine-4-carboxylate
CID 42729205
3-(4-chlorobenzoyl)-2-(4-fluorophenyl)-N-(3-methylbutan-2-yl)-1,3-thiazolidine-4-carboxamide
CID 3939901
ethyl (2S,4S)-3-(benzylcarbamothioyl)-2-(4-fluorophenyl)-1,3-thiazolidine-4-carboxylate
CID 28698001
3-(4-chlorobenzoyl)-2-(4-fluorophenyl)-N-(furan-2-ylmethyl)-1,3-thiazolidine-4-carboxamide
CID 5164610
ethyl 2-phenyl-3-[3-(trifluoromethyl)benzoyl]-1,3-thiazolidine-4-carboxylate
CID 42728521
ethyl 2-(2-chlorophenyl)-3-(2-fluorobenzoyl)-1,3-thiazolidine-4-carboxylate
CID 42728809
(2S,4R)-2-(4-fluorophenyl)-N-hexyl-3-(4-methylbenzoyl)-1,3-thiazolidine-4-carboxamide
CID 7288637
ethyl 3-(4-bromobenzoyl)-2-(2-methoxyphenyl)-1,3-thiazolidine-4-carboxylate
CID 42727849

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-chlorophenyl)-3-(4-fluorobenzoyl)-1,3-thiazolidine-4-carboxylate?
The IUPAC name of ethyl 2-(4-chlorophenyl)-3-(4-fluorobenzoyl)-1,3-thiazolidine-4-carboxylate (CID 42727802) is ethyl 2-(4-chlorophenyl)-3-(4-fluorobenzoyl)-1,3-thiazolidine-4-carboxylate.
What is the SMILES notation for ethyl 2-(4-chlorophenyl)-3-(4-fluorobenzoyl)-1,3-thiazolidine-4-carboxylate?
The canonical SMILES for ethyl 2-(4-chlorophenyl)-3-(4-fluorobenzoyl)-1,3-thiazolidine-4-carboxylate is CCOC(=O)C1CSC(c2ccc(Cl)cc2)N1C(=O)c1ccc(F)cc1.
What is the InChIKey of ethyl 2-(4-chlorophenyl)-3-(4-fluorobenzoyl)-1,3-thiazolidine-4-carboxylate?
The InChIKey is YJMOVLKXZLTWLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClFNO3S/c1-2-25-19(24)16-11-26-18(13-3-7-14(20)8-4-13)22(16)17(23)12-5-9-15(21)10-6-12/h3-10,16,18H,2,11H2,1H3.
What are the key properties of ethyl 2-(4-chlorophenyl)-3-(4-fluorobenzoyl)-1,3-thiazolidine-4-carboxylate?
ethyl 2-(4-chlorophenyl)-3-(4-fluorobenzoyl)-1,3-thiazolidine-4-carboxylate has a molecular weight of 393.87 g/mol, XLogP of 4.30, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-chlorophenyl)-3-(4-fluorobenzoyl)-1,3-thiazolidine-4-carboxylate is sourced from PubChem (CID 42727802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).