ethyl 1-[3-(2-fluorobenzoyl)-1,3-thiazolidine-4-carbonyl]piperidine-3-carboxylate

C19H23FN2O4S — CID 42745307

IUPACethyl 1-[3-(2-fluorobenzoyl)-1,3-thiazolidine-4-carbonyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)C2CSCN2C(=O)c2ccccc2F)C1
InChIInChI=1S/C19H23FN2O4S/c1-2-26-19(25)13-6-5-9-21(10-13)18(24)16-11-27-12-22(16)17(23)14-7-3-4-8-15(14)20/h3-4,7-8,13,16H,2,5-6,9-12H2,1H3
InChIKeyFWTQHHMNAZJKRP-UHFFFAOYSA-N
MW394.47 g/mol
LogP2.14
Rot. Bonds4

About ethyl 1-[3-(2-fluorobenzoyl)-1,3-thiazolidine-4-carbonyl]piperidine-3-carboxylate

ethyl 1-[3-(2-fluorobenzoyl)-1,3-thiazolidine-4-carbonyl]piperidine-3-carboxylate (PubChem CID 42745307) has the molecular formula C19H23FN2O4S and a molecular weight of 394.47 g/mol. Its IUPAC name is ethyl 1-[3-(2-fluorobenzoyl)-1,3-thiazolidine-4-carbonyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[3-(2-fluorobenzoyl)-1,3-thiazolidine-4-carbonyl]piperidine-3-carboxylate
PubChem CID42745307
Molecular FormulaC19H23FN2O4S
Molecular Weight394.47 g/mol
Exact Mass394.14
IUPAC Nameethyl 1-[3-(2-fluorobenzoyl)-1,3-thiazolidine-4-carbonyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)C2CSCN2C(=O)c2ccccc2F)C1
InChIInChI=1S/C19H23FN2O4S/c1-2-26-19(25)13-6-5-9-21(10-13)18(24)16-11-27-12-22(16)17(23)14-7-3-4-8-15(14)20/h3-4,7-8,13,16H,2,5-6,9-12H2,1H3
InChIKeyFWTQHHMNAZJKRP-UHFFFAOYSA-N
XLogP2.14
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-[3-(2-chlorobenzoyl)-1,3-thiazolidine-4-carbonyl]piperidine-4-carboxylate
CID 4315196
ethyl (3S)-1-(2-chloro-3-fluorobenzoyl)piperidine-3-carboxylate
CID 81338267
ethyl (3S)-1-(2-methylbenzoyl)piperidine-3-carboxylate
CID 81345354
3-(3-ethoxycarbonylpiperidine-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 61187460
ethyl 1-(2,4-difluorobenzoyl)piperidine-3-carboxylate
CID 43404470
ethyl (3R)-1-(2,4-difluorobenzoyl)piperidine-3-carboxylate
CID 81338657
ethyl (3R)-1-(2-methylsulfanylbenzoyl)piperidine-3-carboxylate
CID 81338642
ethyl 1-(2-fluoro-4-methylbenzoyl)piperidine-3-carboxylate
CID 79765192
ethyl (3S)-1-(2-iodobenzoyl)piperidine-3-carboxylate
CID 1345981
ethyl (3S)-1-(3-chloro-2-fluorobenzoyl)piperidine-3-carboxylate
CID 81338377
ethyl (3S)-1-[2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]benzoyl]piperidine-3-carboxylate
CID 36768257
ethyl (3R)-1-(3-bromo-2-fluorobenzoyl)piperidine-3-carboxylate
CID 106548126

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[3-(2-fluorobenzoyl)-1,3-thiazolidine-4-carbonyl]piperidine-3-carboxylate?
The IUPAC name of ethyl 1-[3-(2-fluorobenzoyl)-1,3-thiazolidine-4-carbonyl]piperidine-3-carboxylate (CID 42745307) is ethyl 1-[3-(2-fluorobenzoyl)-1,3-thiazolidine-4-carbonyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-[3-(2-fluorobenzoyl)-1,3-thiazolidine-4-carbonyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-[3-(2-fluorobenzoyl)-1,3-thiazolidine-4-carbonyl]piperidine-3-carboxylate is CCOC(=O)C1CCCN(C(=O)C2CSCN2C(=O)c2ccccc2F)C1.
What is the InChIKey of ethyl 1-[3-(2-fluorobenzoyl)-1,3-thiazolidine-4-carbonyl]piperidine-3-carboxylate?
The InChIKey is FWTQHHMNAZJKRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O4S/c1-2-26-19(25)13-6-5-9-21(10-13)18(24)16-11-27-12-22(16)17(23)14-7-3-4-8-15(14)20/h3-4,7-8,13,16H,2,5-6,9-12H2,1H3.
What are the key properties of ethyl 1-[3-(2-fluorobenzoyl)-1,3-thiazolidine-4-carbonyl]piperidine-3-carboxylate?
ethyl 1-[3-(2-fluorobenzoyl)-1,3-thiazolidine-4-carbonyl]piperidine-3-carboxylate has a molecular weight of 394.47 g/mol, XLogP of 2.14, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[3-(2-fluorobenzoyl)-1,3-thiazolidine-4-carbonyl]piperidine-3-carboxylate is sourced from PubChem (CID 42745307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).