methyl 2-[[2-[2-(4-fluorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]-methylamino]propanoate

C16H21FN2O3S — CID 42796946

IUPACmethyl 2-[[2-[2-(4-fluorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]-methylamino]propanoate
SMILESCOC(=O)C(C)N(C)CC(=O)N1CCSC1c1ccc(F)cc1
InChIInChI=1S/C16H21FN2O3S/c1-11(16(21)22-3)18(2)10-14(20)19-8-9-23-15(19)12-4-6-13(17)7-5-12/h4-7,11,15H,8-10H2,1-3H3
InChIKeyAMZNVLDQNLKZKI-UHFFFAOYSA-N
MW340.42 g/mol
LogP1.89
Rot. Bonds5

About methyl 2-[[2-[2-(4-fluorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]-methylamino]propanoate

methyl 2-[[2-[2-(4-fluorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]-methylamino]propanoate (PubChem CID 42796946) has the molecular formula C16H21FN2O3S and a molecular weight of 340.42 g/mol. Its IUPAC name is methyl 2-[[2-[2-(4-fluorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]-methylamino]propanoate.

Molecular Properties

Compound Namemethyl 2-[[2-[2-(4-fluorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]-methylamino]propanoate
PubChem CID42796946
Molecular FormulaC16H21FN2O3S
Molecular Weight340.42 g/mol
Exact Mass340.13
IUPAC Namemethyl 2-[[2-[2-(4-fluorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]-methylamino]propanoate
SMILESCOC(=O)C(C)N(C)CC(=O)N1CCSC1c1ccc(F)cc1
InChIInChI=1S/C16H21FN2O3S/c1-11(16(21)22-3)18(2)10-14(20)19-8-9-23-15(19)12-4-6-13(17)7-5-12/h4-7,11,15H,8-10H2,1-3H3
InChIKeyAMZNVLDQNLKZKI-UHFFFAOYSA-N
XLogP1.89
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[(2R)-2-(4-fluorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]-[(2R)-1-methoxy-1-oxopropan-2-yl]-methylazanium
CID 11899766
ethyl (2S)-2-[butyl-[2-[(2S)-2-(4-fluorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]amino]propanoate
CID 7361479
ethyl (2R)-2-[[2-[(2S)-2-(4-fluorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]-(3-methoxypropyl)amino]propanoate
CID 7499435
1-[2-(4-fluorophenyl)-1,3-thiazolidin-3-yl]-2-[methyl-[(2-methylphenyl)methyl]amino]ethanone
CID 42796952
2-[(2,5-dimethylphenyl)methyl-propan-2-ylamino]-1-[(2S)-2-(4-fluorophenyl)-1,3-thiazolidin-3-yl]ethanone
CID 7495110
1-[2-(4-fluorophenyl)-1,3-thiazolidin-3-yl]octan-1-one
CID 4163378
1-[2-(4-fluorophenyl)-1,3-thiazolidin-3-yl]nonan-1-one
CID 5237084
2-[[2-[(2S)-2-(4-fluorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]-propan-2-ylamino]-N,N-bis(prop-2-enyl)acetamide
CID 7396428
2-[butyl-[(4-fluorophenyl)methyl]amino]-1-[(2S)-2-(4-fluorophenyl)-1,3-thiazolidin-3-yl]ethanone
CID 7431752
2-[4-(dimethylamino)phenyl]-N-(4-fluorophenyl)-1,3-thiazolidine-3-carboxamide
CID 45153977
3-cyclopentyl-1-[2-(4-fluorophenyl)-1,3-thiazolidin-3-yl]propan-1-one
CID 4603126
benzyl 2-[[2-[(2R)-2-(4-fluorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]-(3-methoxypropyl)amino]acetate
CID 93116698

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-[2-(4-fluorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]-methylamino]propanoate?
The IUPAC name of methyl 2-[[2-[2-(4-fluorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]-methylamino]propanoate (CID 42796946) is methyl 2-[[2-[2-(4-fluorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]-methylamino]propanoate.
What is the SMILES notation for methyl 2-[[2-[2-(4-fluorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]-methylamino]propanoate?
The canonical SMILES for methyl 2-[[2-[2-(4-fluorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]-methylamino]propanoate is COC(=O)C(C)N(C)CC(=O)N1CCSC1c1ccc(F)cc1.
What is the InChIKey of methyl 2-[[2-[2-(4-fluorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]-methylamino]propanoate?
The InChIKey is AMZNVLDQNLKZKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O3S/c1-11(16(21)22-3)18(2)10-14(20)19-8-9-23-15(19)12-4-6-13(17)7-5-12/h4-7,11,15H,8-10H2,1-3H3.
What are the key properties of methyl 2-[[2-[2-(4-fluorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]-methylamino]propanoate?
methyl 2-[[2-[2-(4-fluorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]-methylamino]propanoate has a molecular weight of 340.42 g/mol, XLogP of 1.89, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-[2-(4-fluorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]-methylamino]propanoate is sourced from PubChem (CID 42796946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).