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

C14H17FN2O3S — CID 7418906

IUPACethyl 2-[[(2S)-2-(3-fluorophenyl)-1,3-thiazolidine-3-carbonyl]amino]acetate
SMILESCCOC(=O)CNC(=O)N1CCS[C@H]1c1cccc(F)c1
InChIInChI=1S/C14H17FN2O3S/c1-2-20-12(18)9-16-14(19)17-6-7-21-13(17)10-4-3-5-11(15)8-10/h3-5,8,13H,2,6-7,9H2,1H3,(H,16,19)/t13-/m0/s1
InChIKeySEKJDQHNSNXAEG-ZDUSSCGKSA-N
MW312.37 g/mol
LogP2.15
Rot. Bonds4

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

ethyl 2-[[(2S)-2-(3-fluorophenyl)-1,3-thiazolidine-3-carbonyl]amino]acetate (PubChem CID 7418906) has the molecular formula C14H17FN2O3S and a molecular weight of 312.37 g/mol. Its IUPAC name is ethyl 2-[[(2S)-2-(3-fluorophenyl)-1,3-thiazolidine-3-carbonyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[(2S)-2-(3-fluorophenyl)-1,3-thiazolidine-3-carbonyl]amino]acetate
PubChem CID7418906
Molecular FormulaC14H17FN2O3S
Molecular Weight312.37 g/mol
Exact Mass312.09
IUPAC Nameethyl 2-[[(2S)-2-(3-fluorophenyl)-1,3-thiazolidine-3-carbonyl]amino]acetate
SMILESCCOC(=O)CNC(=O)N1CCS[C@H]1c1cccc(F)c1
InChIInChI=1S/C14H17FN2O3S/c1-2-20-12(18)9-16-14(19)17-6-7-21-13(17)10-4-3-5-11(15)8-10/h3-5,8,13H,2,6-7,9H2,1H3,(H,16,19)/t13-/m0/s1
InChIKeySEKJDQHNSNXAEG-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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Related Compounds

(S)-2-[3-(2-Fluoro-benzyl)-ureido]-4-methylsulfanyl-butyric acid methyl ester
CID 7528800
ethyl (4S)-2-(4-fluorophenyl)-3-prop-2-ynoyl-1,3-thiazolidine-4-carboxylate
CID 122189882
Ethyl 3-glycyl-2-phenyl-1,3-thiazolidine-4-carboxylate--hydrogen bromide (1/1)
CID 3065228
(S)-2-[3-(4-Fluoro-benzyl)-ureido]-4-methylsulfanyl-butyric acid methyl ester
CID 2007728
Ethyl 2-{[2-(4-fluorophenyl)pyrrolidinyl]carbonylamino}acetate
CID 45924752
Ethyl 2-{[2-(3-fluorophenyl)pyrrolidinyl]carbonylamino}acetate
CID 45924951
Methyl 2-{[2-(4-fluorophenyl)pyrrolidinyl]carbonylamino}acetate
CID 45924997
Methyl 2-{[2-(3-fluorophenyl)pyrrolidine-1-carbonyl]amino}acetate
CID 50746921
1-[(4-Fluorophenyl)methyl]-3-[(3-morpholin-4-ylthiolan-3-yl)methyl]urea
CID 53532634
1-[(4-Fluorophenyl)methyl]-1-methyl-3-[(3-morpholin-4-ylthiolan-3-yl)methyl]urea
CID 53535086
1-Benzyl-3-((3-methoxytetrahydrothiophen-3-yl)methyl)urea
CID 71804936
N-[[4-fluoro-2-(methylsulfanylmethyl)phenyl]methyl]morpholine-4-carboxamide
CID 71855699

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[(2S)-2-(3-fluorophenyl)-1,3-thiazolidine-3-carbonyl]amino]acetate?
The IUPAC name of ethyl 2-[[(2S)-2-(3-fluorophenyl)-1,3-thiazolidine-3-carbonyl]amino]acetate (CID 7418906) is ethyl 2-[[(2S)-2-(3-fluorophenyl)-1,3-thiazolidine-3-carbonyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[(2S)-2-(3-fluorophenyl)-1,3-thiazolidine-3-carbonyl]amino]acetate?
The canonical SMILES for ethyl 2-[[(2S)-2-(3-fluorophenyl)-1,3-thiazolidine-3-carbonyl]amino]acetate is CCOC(=O)CNC(=O)N1CCS[C@H]1c1cccc(F)c1.
What is the InChIKey of ethyl 2-[[(2S)-2-(3-fluorophenyl)-1,3-thiazolidine-3-carbonyl]amino]acetate?
The InChIKey is SEKJDQHNSNXAEG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H17FN2O3S/c1-2-20-12(18)9-16-14(19)17-6-7-21-13(17)10-4-3-5-11(15)8-10/h3-5,8,13H,2,6-7,9H2,1H3,(H,16,19)/t13-/m0/s1.
What are the key properties of ethyl 2-[[(2S)-2-(3-fluorophenyl)-1,3-thiazolidine-3-carbonyl]amino]acetate?
ethyl 2-[[(2S)-2-(3-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-(3-fluorophenyl)-1,3-thiazolidine-3-carbonyl]amino]acetate is sourced from PubChem (CID 7418906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).