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

C19H23ClN2O4S — CID 4315196

IUPACethyl 1-[3-(2-chlorobenzoyl)-1,3-thiazolidine-4-carbonyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)C2CSCN2C(=O)c2ccccc2Cl)CC1
InChIInChI=1S/C19H23ClN2O4S/c1-2-26-19(25)13-7-9-21(10-8-13)18(24)16-11-27-12-22(16)17(23)14-5-3-4-6-15(14)20/h3-6,13,16H,2,7-12H2,1H3
InChIKeyZCOJEEXSLYANDZ-UHFFFAOYSA-N
MW410.92 g/mol
LogP2.66
Rot. Bonds4

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

ethyl 1-[3-(2-chlorobenzoyl)-1,3-thiazolidine-4-carbonyl]piperidine-4-carboxylate (PubChem CID 4315196) has the molecular formula C19H23ClN2O4S and a molecular weight of 410.92 g/mol. Its IUPAC name is ethyl 1-[3-(2-chlorobenzoyl)-1,3-thiazolidine-4-carbonyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[3-(2-chlorobenzoyl)-1,3-thiazolidine-4-carbonyl]piperidine-4-carboxylate
PubChem CID4315196
Molecular FormulaC19H23ClN2O4S
Molecular Weight410.92 g/mol
Exact Mass410.11
IUPAC Nameethyl 1-[3-(2-chlorobenzoyl)-1,3-thiazolidine-4-carbonyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)C2CSCN2C(=O)c2ccccc2Cl)CC1
InChIInChI=1S/C19H23ClN2O4S/c1-2-26-19(25)13-7-9-21(10-8-13)18(24)16-11-27-12-22(16)17(23)14-5-3-4-6-15(14)20/h3-6,13,16H,2,7-12H2,1H3
InChIKeyZCOJEEXSLYANDZ-UHFFFAOYSA-N
XLogP2.66
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.92
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-[3-(2-fluorobenzoyl)-1,3-thiazolidine-4-carbonyl]piperidine-3-carboxylate
CID 42745307
ethyl 1-[(4R)-3-[(2S)-5-oxopyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carbonyl]piperidine-4-carboxylate
CID 40854999
ethyl (2S)-1-(2-chlorobenzoyl)pyrrolidine-2-carboxylate
CID 71431618
ethyl 1-(2-amino-3-chlorobenzoyl)piperidine-4-carboxylate
CID 115540184
ethyl 1-[3-(2-chlorophenyl)propanoyl]piperidine-4-carboxylate
CID 94143908
ethyl 1-[N-[2-[(2-chlorobenzoyl)amino]ethyl]-N'-methylcarbamimidoyl]piperidine-4-carboxylate
CID 111155754
ethyl 1-[2-[(2-chlorobenzoyl)amino]-3-methylbutanoyl]piperidine-4-carboxylate
CID 85498372
ethyl 1-[2-[(2-chlorophenyl)methoxy]benzoyl]piperidine-4-carboxylate
CID 27555052
hexyl 1-(2-chlorobenzoyl)piperidine-4-carboxylate
CID 91734475
ethyl 1-(2-chloro-5-hydroxybenzoyl)piperidine-4-carboxylate
CID 106501349
ethyl 1-(3-phenylpropanoyl)piperidine-4-carboxylate
CID 669998
ethyl 1-[4-(2-methylphenyl)-4-oxobutanoyl]piperidine-4-carboxylate
CID 110676268

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[3-(2-chlorobenzoyl)-1,3-thiazolidine-4-carbonyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[3-(2-chlorobenzoyl)-1,3-thiazolidine-4-carbonyl]piperidine-4-carboxylate (CID 4315196) is ethyl 1-[3-(2-chlorobenzoyl)-1,3-thiazolidine-4-carbonyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[3-(2-chlorobenzoyl)-1,3-thiazolidine-4-carbonyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[3-(2-chlorobenzoyl)-1,3-thiazolidine-4-carbonyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)C2CSCN2C(=O)c2ccccc2Cl)CC1.
What is the InChIKey of ethyl 1-[3-(2-chlorobenzoyl)-1,3-thiazolidine-4-carbonyl]piperidine-4-carboxylate?
The InChIKey is ZCOJEEXSLYANDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O4S/c1-2-26-19(25)13-7-9-21(10-8-13)18(24)16-11-27-12-22(16)17(23)14-5-3-4-6-15(14)20/h3-6,13,16H,2,7-12H2,1H3.
What are the key properties of ethyl 1-[3-(2-chlorobenzoyl)-1,3-thiazolidine-4-carbonyl]piperidine-4-carboxylate?
ethyl 1-[3-(2-chlorobenzoyl)-1,3-thiazolidine-4-carbonyl]piperidine-4-carboxylate has a molecular weight of 410.92 g/mol, XLogP of 2.66, 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-chlorobenzoyl)-1,3-thiazolidine-4-carbonyl]piperidine-4-carboxylate is sourced from PubChem (CID 4315196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).