5-morpholin-2-ylpentyl 4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylbenzoate

C26H31FN2O4S — CID 175173216

IUPAC5-morpholin-2-ylpentyl 4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylbenzoate
SMILESCc1cc(C(=O)OCCCCCC2CNCCO2)ccc1N1C(=O)CSC1c1ccc(F)cc1
InChIInChI=1S/C26H31FN2O4S/c1-18-15-20(26(31)33-13-4-2-3-5-22-16-28-12-14-32-22)8-11-23(18)29-24(30)17-34-25(29)19-6-9-21(27)10-7-19/h6-11,15,22,25,28H,2-5,12-14,16-17H2,1H3
InChIKeyDWNHATBXQJFBSR-UHFFFAOYSA-N
MW486.61 g/mol
LogP4.62
Rot. Bonds9

About 5-morpholin-2-ylpentyl 4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylbenzoate

5-morpholin-2-ylpentyl 4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylbenzoate (PubChem CID 175173216) has the molecular formula C26H31FN2O4S and a molecular weight of 486.61 g/mol. Its IUPAC name is 5-morpholin-2-ylpentyl 4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylbenzoate.

Molecular Properties

Compound Name5-morpholin-2-ylpentyl 4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylbenzoate
PubChem CID175173216
Molecular FormulaC26H31FN2O4S
Molecular Weight486.61 g/mol
Exact Mass486.20
IUPAC Name5-morpholin-2-ylpentyl 4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylbenzoate
SMILESCc1cc(C(=O)OCCCCCC2CNCCO2)ccc1N1C(=O)CSC1c1ccc(F)cc1
InChIInChI=1S/C26H31FN2O4S/c1-18-15-20(26(31)33-13-4-2-3-5-22-16-28-12-14-32-22)8-11-23(18)29-24(30)17-34-25(29)19-6-9-21(27)10-7-19/h6-11,15,22,25,28H,2-5,12-14,16-17H2,1H3
InChIKeyDWNHATBXQJFBSR-UHFFFAOYSA-N
XLogP4.62
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.61
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-pyridin-4-ylpent-4-enyl 4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylbenzoate
CID 145367077
propan-2-yl 4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylbenzoate
CID 130385743
1,3-benzodioxol-5-ylmethyl 4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylbenzoate
CID 130385987
1-adamantyl 4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylbenzoate
CID 130385606
4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-N-(3-methoxypropyl)-3-methylbenzamide
CID 130385708
methyl 4-[2-(4-methoxycarbonylphenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylbenzoate
CID 130386094
2-(4-fluorophenyl)-3-[2-methyl-4-(4-phenylbutanoyl)phenyl]-1,3-thiazolidin-4-one
CID 130428173
pyridin-2-yl 4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylbenzoate
CID 130385628
2-[(2-methylpropan-2-yl)oxycarbonyl-pyridin-2-ylamino]ethyl 4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylbenzoate
CID 130386047
3-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-4-methylbenzoic acid
CID 130385895
N-[(3,5-difluorophenyl)methyl]-4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylbenzamide
CID 130385994
2-(4-fluorophenyl)-3-[2-methyl-4-(sulfinocarbamoyl)phenyl]-4-oxo-1,3-thiazolidine
CID 130428082

Frequently Asked Questions

What is the IUPAC name of 5-morpholin-2-ylpentyl 4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylbenzoate?
The IUPAC name of 5-morpholin-2-ylpentyl 4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylbenzoate (CID 175173216) is 5-morpholin-2-ylpentyl 4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylbenzoate.
What is the SMILES notation for 5-morpholin-2-ylpentyl 4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylbenzoate?
The canonical SMILES for 5-morpholin-2-ylpentyl 4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylbenzoate is Cc1cc(C(=O)OCCCCCC2CNCCO2)ccc1N1C(=O)CSC1c1ccc(F)cc1.
What is the InChIKey of 5-morpholin-2-ylpentyl 4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylbenzoate?
The InChIKey is DWNHATBXQJFBSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31FN2O4S/c1-18-15-20(26(31)33-13-4-2-3-5-22-16-28-12-14-32-22)8-11-23(18)29-24(30)17-34-25(29)19-6-9-21(27)10-7-19/h6-11,15,22,25,28H,2-5,12-14,16-17H2,1H3.
What are the key properties of 5-morpholin-2-ylpentyl 4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylbenzoate?
5-morpholin-2-ylpentyl 4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylbenzoate has a molecular weight of 486.61 g/mol, XLogP of 4.62, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-morpholin-2-ylpentyl 4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylbenzoate is sourced from PubChem (CID 175173216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).