4-(2-fluorophenyl)-3-(3-imidazol-1-ylpropyl)-2-pyridin-3-ylimino-1,3-thiazolidin-4-ol

C20H20FN5OS — CID 4019011

IUPAC4-(2-fluorophenyl)-3-(3-imidazol-1-ylpropyl)-2-pyridin-3-ylimino-1,3-thiazolidin-4-ol
SMILESOC1(c2ccccc2F)CS/C(=N\c2cccnc2)N1CCCn1ccnc1
InChIInChI=1S/C20H20FN5OS/c21-18-7-2-1-6-17(18)20(27)14-28-19(24-16-5-3-8-22-13-16)26(20)11-4-10-25-12-9-23-15-25/h1-3,5-9,12-13,15,27H,4,10-11,14H2/b24-19-
InChIKeyFDVGSKSEGWLXPE-CLCOLTQESA-N
MW397.48 g/mol
LogP3.39
Rot. Bonds6

About 4-(2-fluorophenyl)-3-(3-imidazol-1-ylpropyl)-2-pyridin-3-ylimino-1,3-thiazolidin-4-ol

4-(2-fluorophenyl)-3-(3-imidazol-1-ylpropyl)-2-pyridin-3-ylimino-1,3-thiazolidin-4-ol (PubChem CID 4019011) has the molecular formula C20H20FN5OS and a molecular weight of 397.48 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-3-(3-imidazol-1-ylpropyl)-2-pyridin-3-ylimino-1,3-thiazolidin-4-ol.

Molecular Properties

Compound Name4-(2-fluorophenyl)-3-(3-imidazol-1-ylpropyl)-2-pyridin-3-ylimino-1,3-thiazolidin-4-ol
PubChem CID4019011
Molecular FormulaC20H20FN5OS
Molecular Weight397.48 g/mol
Exact Mass397.14
IUPAC Name4-(2-fluorophenyl)-3-(3-imidazol-1-ylpropyl)-2-pyridin-3-ylimino-1,3-thiazolidin-4-ol
SMILESOC1(c2ccccc2F)CS/C(=N\c2cccnc2)N1CCCn1ccnc1
InChIInChI=1S/C20H20FN5OS/c21-18-7-2-1-6-17(18)20(27)14-28-19(24-16-5-3-8-22-13-16)26(20)11-4-10-25-12-9-23-15-25/h1-3,5-9,12-13,15,27H,4,10-11,14H2/b24-19-
InChIKeyFDVGSKSEGWLXPE-CLCOLTQESA-N
XLogP3.39
TPSA66.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)-3-(3-imidazol-1-ylpropyl)-2-pyridin-3-ylimino-1,3-thiazolidin-4-ol?
The IUPAC name of 4-(2-fluorophenyl)-3-(3-imidazol-1-ylpropyl)-2-pyridin-3-ylimino-1,3-thiazolidin-4-ol (CID 4019011) is 4-(2-fluorophenyl)-3-(3-imidazol-1-ylpropyl)-2-pyridin-3-ylimino-1,3-thiazolidin-4-ol.
What is the SMILES notation for 4-(2-fluorophenyl)-3-(3-imidazol-1-ylpropyl)-2-pyridin-3-ylimino-1,3-thiazolidin-4-ol?
The canonical SMILES for 4-(2-fluorophenyl)-3-(3-imidazol-1-ylpropyl)-2-pyridin-3-ylimino-1,3-thiazolidin-4-ol is OC1(c2ccccc2F)CS/C(=N\c2cccnc2)N1CCCn1ccnc1.
What is the InChIKey of 4-(2-fluorophenyl)-3-(3-imidazol-1-ylpropyl)-2-pyridin-3-ylimino-1,3-thiazolidin-4-ol?
The InChIKey is FDVGSKSEGWLXPE-CLCOLTQESA-N. The full InChI is InChI=1S/C20H20FN5OS/c21-18-7-2-1-6-17(18)20(27)14-28-19(24-16-5-3-8-22-13-16)26(20)11-4-10-25-12-9-23-15-25/h1-3,5-9,12-13,15,27H,4,10-11,14H2/b24-19-.
What are the key properties of 4-(2-fluorophenyl)-3-(3-imidazol-1-ylpropyl)-2-pyridin-3-ylimino-1,3-thiazolidin-4-ol?
4-(2-fluorophenyl)-3-(3-imidazol-1-ylpropyl)-2-pyridin-3-ylimino-1,3-thiazolidin-4-ol has a molecular weight of 397.48 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)-3-(3-imidazol-1-ylpropyl)-2-pyridin-3-ylimino-1,3-thiazolidin-4-ol is sourced from PubChem (CID 4019011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).