ethyl 2-[butyl-[2-[(2R)-2-(4-fluorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]amino]acetate

C19H27FN2O3S — CID 7296302

IUPACethyl 2-[butyl-[2-[(2R)-2-(4-fluorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]amino]acetate
SMILESCCCCN(CC(=O)OCC)CC(=O)N1CCS[C@@H]1c1ccc(F)cc1
InChIInChI=1S/C19H27FN2O3S/c1-3-5-10-21(14-18(24)25-4-2)13-17(23)22-11-12-26-19(22)15-6-8-16(20)9-7-15/h6-9,19H,3-5,10-14H2,1-2H3/t19-/m1/s1
InChIKeyQIMHBXJWHGALSN-LJQANCHMSA-N
MW382.50 g/mol
LogP3.06
Rot. Bonds9

About ethyl 2-[butyl-[2-[(2R)-2-(4-fluorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]amino]acetate

ethyl 2-[butyl-[2-[(2R)-2-(4-fluorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]amino]acetate (PubChem CID 7296302) has the molecular formula C19H27FN2O3S and a molecular weight of 382.50 g/mol. Its IUPAC name is ethyl 2-[butyl-[2-[(2R)-2-(4-fluorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[butyl-[2-[(2R)-2-(4-fluorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]amino]acetate
PubChem CID7296302
Molecular FormulaC19H27FN2O3S
Molecular Weight382.50 g/mol
Exact Mass382.17
IUPAC Nameethyl 2-[butyl-[2-[(2R)-2-(4-fluorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]amino]acetate
SMILESCCCCN(CC(=O)OCC)CC(=O)N1CCS[C@@H]1c1ccc(F)cc1
InChIInChI=1S/C19H27FN2O3S/c1-3-5-10-21(14-18(24)25-4-2)13-17(23)22-11-12-26-19(22)15-6-8-16(20)9-7-15/h6-9,19H,3-5,10-14H2,1-2H3/t19-/m1/s1
InChIKeyQIMHBXJWHGALSN-LJQANCHMSA-N
XLogP3.06
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[butyl-[2-[(2R)-2-(4-fluorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]amino]acetate?
The IUPAC name of ethyl 2-[butyl-[2-[(2R)-2-(4-fluorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]amino]acetate (CID 7296302) is ethyl 2-[butyl-[2-[(2R)-2-(4-fluorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]amino]acetate.
What is the SMILES notation for ethyl 2-[butyl-[2-[(2R)-2-(4-fluorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]amino]acetate?
The canonical SMILES for ethyl 2-[butyl-[2-[(2R)-2-(4-fluorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]amino]acetate is CCCCN(CC(=O)OCC)CC(=O)N1CCS[C@@H]1c1ccc(F)cc1.
What is the InChIKey of ethyl 2-[butyl-[2-[(2R)-2-(4-fluorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]amino]acetate?
The InChIKey is QIMHBXJWHGALSN-LJQANCHMSA-N. The full InChI is InChI=1S/C19H27FN2O3S/c1-3-5-10-21(14-18(24)25-4-2)13-17(23)22-11-12-26-19(22)15-6-8-16(20)9-7-15/h6-9,19H,3-5,10-14H2,1-2H3/t19-/m1/s1.
What are the key properties of ethyl 2-[butyl-[2-[(2R)-2-(4-fluorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]amino]acetate?
ethyl 2-[butyl-[2-[(2R)-2-(4-fluorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]amino]acetate has a molecular weight of 382.50 g/mol, XLogP of 3.06, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[butyl-[2-[(2R)-2-(4-fluorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]amino]acetate is sourced from PubChem (CID 7296302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).