ethyl 3-[2-(4-fluorophenyl)acetyl]-2-propan-2-yl-1,3-thiazolidine-4-carboxylate

C17H22FNO3S — CID 42728942

IUPACethyl 3-[2-(4-fluorophenyl)acetyl]-2-propan-2-yl-1,3-thiazolidine-4-carboxylate
SMILESCCOC(=O)C1CSC(C(C)C)N1C(=O)Cc1ccc(F)cc1
InChIInChI=1S/C17H22FNO3S/c1-4-22-17(21)14-10-23-16(11(2)3)19(14)15(20)9-12-5-7-13(18)8-6-12/h5-8,11,14,16H,4,9-10H2,1-3H3
InChIKeyLVRASKJSPCLXPO-UHFFFAOYSA-N
MW339.43 g/mol
LogP2.86
Rot. Bonds5

About ethyl 3-[2-(4-fluorophenyl)acetyl]-2-propan-2-yl-1,3-thiazolidine-4-carboxylate

ethyl 3-[2-(4-fluorophenyl)acetyl]-2-propan-2-yl-1,3-thiazolidine-4-carboxylate (PubChem CID 42728942) has the molecular formula C17H22FNO3S and a molecular weight of 339.43 g/mol. Its IUPAC name is ethyl 3-[2-(4-fluorophenyl)acetyl]-2-propan-2-yl-1,3-thiazolidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-[2-(4-fluorophenyl)acetyl]-2-propan-2-yl-1,3-thiazolidine-4-carboxylate
PubChem CID42728942
Molecular FormulaC17H22FNO3S
Molecular Weight339.43 g/mol
Exact Mass339.13
IUPAC Nameethyl 3-[2-(4-fluorophenyl)acetyl]-2-propan-2-yl-1,3-thiazolidine-4-carboxylate
SMILESCCOC(=O)C1CSC(C(C)C)N1C(=O)Cc1ccc(F)cc1
InChIInChI=1S/C17H22FNO3S/c1-4-22-17(21)14-10-23-16(11(2)3)19(14)15(20)9-12-5-7-13(18)8-6-12/h5-8,11,14,16H,4,9-10H2,1-3H3
InChIKeyLVRASKJSPCLXPO-UHFFFAOYSA-N
XLogP2.86
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.43
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(4-fluorophenyl)acetyl]-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 63780328
ethyl 3-(2,2-dimethylpropanoyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylate
CID 42728913
2-propan-2-yl-3-(2-pyridin-4-ylacetyl)-1,3-thiazolidine-4-carboxylic acid
CID 63780136
3-[2-(3-aminophenyl)acetyl]-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 65350404
2-methylpropyl 3-(4-butylbenzoyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylate
CID 3561416
butyl (2S,4R)-3-(2-fluorobenzoyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylate
CID 7362470
3-[2-(2-methylphenyl)acetyl]-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 63780312
ethyl 2-(4-chlorophenyl)-3-(4-fluorobenzoyl)-1,3-thiazolidine-4-carboxylate
CID 42727802
3-[2-(3-chlorophenyl)acetyl]-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 63779623
ethyl (2S,4S)-3-(benzylcarbamothioyl)-2-(4-fluorophenyl)-1,3-thiazolidine-4-carboxylate
CID 28698001
3-[2-(2-hydroxyphenyl)acetyl]-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 80721584
propyl (2R,4S)-3-(4-bromobenzoyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylate
CID 7330944

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[2-(4-fluorophenyl)acetyl]-2-propan-2-yl-1,3-thiazolidine-4-carboxylate?
The IUPAC name of ethyl 3-[2-(4-fluorophenyl)acetyl]-2-propan-2-yl-1,3-thiazolidine-4-carboxylate (CID 42728942) is ethyl 3-[2-(4-fluorophenyl)acetyl]-2-propan-2-yl-1,3-thiazolidine-4-carboxylate.
What is the SMILES notation for ethyl 3-[2-(4-fluorophenyl)acetyl]-2-propan-2-yl-1,3-thiazolidine-4-carboxylate?
The canonical SMILES for ethyl 3-[2-(4-fluorophenyl)acetyl]-2-propan-2-yl-1,3-thiazolidine-4-carboxylate is CCOC(=O)C1CSC(C(C)C)N1C(=O)Cc1ccc(F)cc1.
What is the InChIKey of ethyl 3-[2-(4-fluorophenyl)acetyl]-2-propan-2-yl-1,3-thiazolidine-4-carboxylate?
The InChIKey is LVRASKJSPCLXPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FNO3S/c1-4-22-17(21)14-10-23-16(11(2)3)19(14)15(20)9-12-5-7-13(18)8-6-12/h5-8,11,14,16H,4,9-10H2,1-3H3.
What are the key properties of ethyl 3-[2-(4-fluorophenyl)acetyl]-2-propan-2-yl-1,3-thiazolidine-4-carboxylate?
ethyl 3-[2-(4-fluorophenyl)acetyl]-2-propan-2-yl-1,3-thiazolidine-4-carboxylate has a molecular weight of 339.43 g/mol, XLogP of 2.86, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[2-(4-fluorophenyl)acetyl]-2-propan-2-yl-1,3-thiazolidine-4-carboxylate is sourced from PubChem (CID 42728942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).