propan-2-yl 4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylbenzoate

C20H20FNO3S — CID 130385743

IUPACpropan-2-yl 4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylbenzoate
SMILESCc1cc(C(=O)OC(C)C)ccc1N1C(=O)CSC1c1ccc(F)cc1
InChIInChI=1S/C20H20FNO3S/c1-12(2)25-20(24)15-6-9-17(13(3)10-15)22-18(23)11-26-19(22)14-4-7-16(21)8-5-14/h4-10,12,19H,11H2,1-3H3
InChIKeyKQVOSTFXBDLGDT-UHFFFAOYSA-N
MW373.45 g/mol
LogP4.48
Rot. Bonds4

About propan-2-yl 4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylbenzoate

propan-2-yl 4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylbenzoate (PubChem CID 130385743) has the molecular formula C20H20FNO3S and a molecular weight of 373.45 g/mol. Its IUPAC name is propan-2-yl 4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylbenzoate.

Molecular Properties

Compound Namepropan-2-yl 4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylbenzoate
PubChem CID130385743
Molecular FormulaC20H20FNO3S
Molecular Weight373.45 g/mol
Exact Mass373.11
IUPAC Namepropan-2-yl 4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylbenzoate
SMILESCc1cc(C(=O)OC(C)C)ccc1N1C(=O)CSC1c1ccc(F)cc1
InChIInChI=1S/C20H20FNO3S/c1-12(2)25-20(24)15-6-9-17(13(3)10-15)22-18(23)11-26-19(22)14-4-7-16(21)8-5-14/h4-10,12,19H,11H2,1-3H3
InChIKeyKQVOSTFXBDLGDT-UHFFFAOYSA-N
XLogP4.48
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylbenzoate?
The IUPAC name of propan-2-yl 4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylbenzoate (CID 130385743) is propan-2-yl 4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylbenzoate.
What is the SMILES notation for propan-2-yl 4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylbenzoate?
The canonical SMILES for propan-2-yl 4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylbenzoate is Cc1cc(C(=O)OC(C)C)ccc1N1C(=O)CSC1c1ccc(F)cc1.
What is the InChIKey of propan-2-yl 4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylbenzoate?
The InChIKey is KQVOSTFXBDLGDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FNO3S/c1-12(2)25-20(24)15-6-9-17(13(3)10-15)22-18(23)11-26-19(22)14-4-7-16(21)8-5-14/h4-10,12,19H,11H2,1-3H3.
What are the key properties of propan-2-yl 4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylbenzoate?
propan-2-yl 4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylbenzoate has a molecular weight of 373.45 g/mol, XLogP of 4.48, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylbenzoate is sourced from PubChem (CID 130385743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).