ethyl 2-[[(2S)-2-(4-fluorophenyl)-1,3-thiazolidine-3-carbonyl]amino]acetate

C14H17FN2O3S — CID 7419309

IUPACethyl 2-[[(2S)-2-(4-fluorophenyl)-1,3-thiazolidine-3-carbonyl]amino]acetate
SMILESCCOC(=O)CNC(=O)N1CCS[C@H]1c1ccc(F)cc1
InChIInChI=1S/C14H17FN2O3S/c1-2-20-12(18)9-16-14(19)17-7-8-21-13(17)10-3-5-11(15)6-4-10/h3-6,13H,2,7-9H2,1H3,(H,16,19)/t13-/m0/s1
InChIKeyLLTJSGHXIQPNEL-ZDUSSCGKSA-N
MW312.37 g/mol
LogP2.15
Rot. Bonds4

About ethyl 2-[[(2S)-2-(4-fluorophenyl)-1,3-thiazolidine-3-carbonyl]amino]acetate

ethyl 2-[[(2S)-2-(4-fluorophenyl)-1,3-thiazolidine-3-carbonyl]amino]acetate (PubChem CID 7419309) has the molecular formula C14H17FN2O3S and a molecular weight of 312.37 g/mol. Its IUPAC name is ethyl 2-[[(2S)-2-(4-fluorophenyl)-1,3-thiazolidine-3-carbonyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[(2S)-2-(4-fluorophenyl)-1,3-thiazolidine-3-carbonyl]amino]acetate
PubChem CID7419309
Molecular FormulaC14H17FN2O3S
Molecular Weight312.37 g/mol
Exact Mass312.09
IUPAC Nameethyl 2-[[(2S)-2-(4-fluorophenyl)-1,3-thiazolidine-3-carbonyl]amino]acetate
SMILESCCOC(=O)CNC(=O)N1CCS[C@H]1c1ccc(F)cc1
InChIInChI=1S/C14H17FN2O3S/c1-2-20-12(18)9-16-14(19)17-7-8-21-13(17)10-3-5-11(15)6-4-10/h3-6,13H,2,7-9H2,1H3,(H,16,19)/t13-/m0/s1
InChIKeyLLTJSGHXIQPNEL-ZDUSSCGKSA-N
XLogP2.15
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[(2S)-2-(4-fluorophenyl)-1,3-thiazolidine-3-carbonyl]amino]acetate?
The IUPAC name of ethyl 2-[[(2S)-2-(4-fluorophenyl)-1,3-thiazolidine-3-carbonyl]amino]acetate (CID 7419309) is ethyl 2-[[(2S)-2-(4-fluorophenyl)-1,3-thiazolidine-3-carbonyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[(2S)-2-(4-fluorophenyl)-1,3-thiazolidine-3-carbonyl]amino]acetate?
The canonical SMILES for ethyl 2-[[(2S)-2-(4-fluorophenyl)-1,3-thiazolidine-3-carbonyl]amino]acetate is CCOC(=O)CNC(=O)N1CCS[C@H]1c1ccc(F)cc1.
What is the InChIKey of ethyl 2-[[(2S)-2-(4-fluorophenyl)-1,3-thiazolidine-3-carbonyl]amino]acetate?
The InChIKey is LLTJSGHXIQPNEL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H17FN2O3S/c1-2-20-12(18)9-16-14(19)17-7-8-21-13(17)10-3-5-11(15)6-4-10/h3-6,13H,2,7-9H2,1H3,(H,16,19)/t13-/m0/s1.
What are the key properties of ethyl 2-[[(2S)-2-(4-fluorophenyl)-1,3-thiazolidine-3-carbonyl]amino]acetate?
ethyl 2-[[(2S)-2-(4-fluorophenyl)-1,3-thiazolidine-3-carbonyl]amino]acetate has a molecular weight of 312.37 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[(2S)-2-(4-fluorophenyl)-1,3-thiazolidine-3-carbonyl]amino]acetate is sourced from PubChem (CID 7419309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).