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

C22H17FN2O3S — CID 130385628

IUPACpyridin-2-yl 4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylbenzoate
SMILESCc1cc(C(=O)Oc2ccccn2)ccc1N1C(=O)CSC1c1ccc(F)cc1
InChIInChI=1S/C22H17FN2O3S/c1-14-12-16(22(27)28-19-4-2-3-11-24-19)7-10-18(14)25-20(26)13-29-21(25)15-5-8-17(23)9-6-15/h2-12,21H,13H2,1H3
InChIKeyJRGDFURUGHPWMJ-UHFFFAOYSA-N
MW408.45 g/mol
LogP4.53
Rot. Bonds4

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

pyridin-2-yl 4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylbenzoate (PubChem CID 130385628) has the molecular formula C22H17FN2O3S and a molecular weight of 408.45 g/mol. Its IUPAC name is pyridin-2-yl 4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylbenzoate.

Molecular Properties

Compound Namepyridin-2-yl 4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylbenzoate
PubChem CID130385628
Molecular FormulaC22H17FN2O3S
Molecular Weight408.45 g/mol
Exact Mass408.09
IUPAC Namepyridin-2-yl 4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylbenzoate
SMILESCc1cc(C(=O)Oc2ccccn2)ccc1N1C(=O)CSC1c1ccc(F)cc1
InChIInChI=1S/C22H17FN2O3S/c1-14-12-16(22(27)28-19-4-2-3-11-24-19)7-10-18(14)25-20(26)13-29-21(25)15-5-8-17(23)9-6-15/h2-12,21H,13H2,1H3
InChIKeyJRGDFURUGHPWMJ-UHFFFAOYSA-N
XLogP4.53
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.45
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of pyridin-2-yl 4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylbenzoate?
The IUPAC name of pyridin-2-yl 4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylbenzoate (CID 130385628) is pyridin-2-yl 4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylbenzoate.
What is the SMILES notation for pyridin-2-yl 4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylbenzoate?
The canonical SMILES for pyridin-2-yl 4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylbenzoate is Cc1cc(C(=O)Oc2ccccn2)ccc1N1C(=O)CSC1c1ccc(F)cc1.
What is the InChIKey of pyridin-2-yl 4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylbenzoate?
The InChIKey is JRGDFURUGHPWMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN2O3S/c1-14-12-16(22(27)28-19-4-2-3-11-24-19)7-10-18(14)25-20(26)13-29-21(25)15-5-8-17(23)9-6-15/h2-12,21H,13H2,1H3.
What are the key properties of pyridin-2-yl 4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylbenzoate?
pyridin-2-yl 4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylbenzoate has a molecular weight of 408.45 g/mol, XLogP of 4.53, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-2-yl 4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylbenzoate is sourced from PubChem (CID 130385628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).