ethyl 2-[3-[(4-fluorophenyl)methyl]-4-oxo-1,3-thiazolidin-2-yl]cyclopropane-1-carboxylate

C16H18FNO3S — CID 3527900

IUPACethyl 2-[3-[(4-fluorophenyl)methyl]-4-oxo-1,3-thiazolidin-2-yl]cyclopropane-1-carboxylate
SMILESCCOC(=O)C1CC1C1SCC(=O)N1Cc1ccc(F)cc1
InChIInChI=1S/C16H18FNO3S/c1-2-21-16(20)13-7-12(13)15-18(14(19)9-22-15)8-10-3-5-11(17)6-4-10/h3-6,12-13,15H,2,7-9H2,1H3
InChIKeyBWDZWEUZORPUGX-UHFFFAOYSA-N
MW323.39 g/mol
LogP2.43
Rot. Bonds5

About ethyl 2-[3-[(4-fluorophenyl)methyl]-4-oxo-1,3-thiazolidin-2-yl]cyclopropane-1-carboxylate

ethyl 2-[3-[(4-fluorophenyl)methyl]-4-oxo-1,3-thiazolidin-2-yl]cyclopropane-1-carboxylate (PubChem CID 3527900) has the molecular formula C16H18FNO3S and a molecular weight of 323.39 g/mol. Its IUPAC name is ethyl 2-[3-[(4-fluorophenyl)methyl]-4-oxo-1,3-thiazolidin-2-yl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-[3-[(4-fluorophenyl)methyl]-4-oxo-1,3-thiazolidin-2-yl]cyclopropane-1-carboxylate
PubChem CID3527900
Molecular FormulaC16H18FNO3S
Molecular Weight323.39 g/mol
Exact Mass323.10
IUPAC Nameethyl 2-[3-[(4-fluorophenyl)methyl]-4-oxo-1,3-thiazolidin-2-yl]cyclopropane-1-carboxylate
SMILESCCOC(=O)C1CC1C1SCC(=O)N1Cc1ccc(F)cc1
InChIInChI=1S/C16H18FNO3S/c1-2-21-16(20)13-7-12(13)15-18(14(19)9-22-15)8-10-3-5-11(17)6-4-10/h3-6,12-13,15H,2,7-9H2,1H3
InChIKeyBWDZWEUZORPUGX-UHFFFAOYSA-N
XLogP2.43
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[1-benzyl-2-(ethylthio)-3,4-dimethyl-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]propanoate
CID 5348243
Ethyl 4-[butyl-[2-[2-(4-fluorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]amino]butanoate
CID 45950676
ethyl 5-[(5Z)-5-[(4-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]pentanoate
CID 171905484
2-[2-(2-Fluorophenyl)-3-(3-methylbutyl)-4-oxo-1,3-thiazolidin-5-yl]acetaldehyde
CID 89317063
Ethyl 1-(1-benzyl-4-fluoro-5-oxopyrrolidin-3-yl)cyclopropane-1-carboxylate
CID 141867818
Ethyl 1-(1-benzyl-4-fluoropyrrolidin-3-yl)cyclopropane-1-carboxylate
CID 141867837
Methyl 6-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-6-methylcyclohexa-2,4-diene-1-carboxylate
CID 175160498
2-Methylsulfanylethyl 2-[1-[(2,3-difluorophenyl)methyl]-5-oxopyrrolidin-2-yl]acetate
CID 175838014
Ethyl 4-[2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-4-oxobutanoate
CID 3424180
Ethyl 4-[2-(3-fluorophenyl)-1,3-thiazolidin-3-yl]-4-oxobutanoate
CID 3425324
Ethyl 2-[3-[(3,4-difluorophenyl)methyl]-4-oxo-1,3-thiazolidin-2-yl]cyclopropane-1-carboxylate
CID 3443354
Ethyl 2-[3-[(3-fluorophenyl)methyl]-4-oxo-1,3-thiazolidin-2-yl]cyclopropane-1-carboxylate
CID 3798761

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-[(4-fluorophenyl)methyl]-4-oxo-1,3-thiazolidin-2-yl]cyclopropane-1-carboxylate?
The IUPAC name of ethyl 2-[3-[(4-fluorophenyl)methyl]-4-oxo-1,3-thiazolidin-2-yl]cyclopropane-1-carboxylate (CID 3527900) is ethyl 2-[3-[(4-fluorophenyl)methyl]-4-oxo-1,3-thiazolidin-2-yl]cyclopropane-1-carboxylate.
What is the SMILES notation for ethyl 2-[3-[(4-fluorophenyl)methyl]-4-oxo-1,3-thiazolidin-2-yl]cyclopropane-1-carboxylate?
The canonical SMILES for ethyl 2-[3-[(4-fluorophenyl)methyl]-4-oxo-1,3-thiazolidin-2-yl]cyclopropane-1-carboxylate is CCOC(=O)C1CC1C1SCC(=O)N1Cc1ccc(F)cc1.
What is the InChIKey of ethyl 2-[3-[(4-fluorophenyl)methyl]-4-oxo-1,3-thiazolidin-2-yl]cyclopropane-1-carboxylate?
The InChIKey is BWDZWEUZORPUGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO3S/c1-2-21-16(20)13-7-12(13)15-18(14(19)9-22-15)8-10-3-5-11(17)6-4-10/h3-6,12-13,15H,2,7-9H2,1H3.
What are the key properties of ethyl 2-[3-[(4-fluorophenyl)methyl]-4-oxo-1,3-thiazolidin-2-yl]cyclopropane-1-carboxylate?
ethyl 2-[3-[(4-fluorophenyl)methyl]-4-oxo-1,3-thiazolidin-2-yl]cyclopropane-1-carboxylate has a molecular weight of 323.39 g/mol, XLogP of 2.43, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-[(4-fluorophenyl)methyl]-4-oxo-1,3-thiazolidin-2-yl]cyclopropane-1-carboxylate is sourced from PubChem (CID 3527900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).