3-cyclopropyl-4-[4-(difluoromethoxy)phenyl]-2-pyridin-3-ylimino-1,3-thiazolidin-4-ol

C18H17F2N3O2S — CID 3459194

IUPAC3-cyclopropyl-4-[4-(difluoromethoxy)phenyl]-2-pyridin-3-ylimino-1,3-thiazolidin-4-ol
SMILESOC1(c2ccc(OC(F)F)cc2)CS/C(=N\c2cccnc2)N1C1CC1
InChIInChI=1S/C18H17F2N3O2S/c19-16(20)25-15-7-3-12(4-8-15)18(24)11-26-17(23(18)14-5-6-14)22-13-2-1-9-21-10-13/h1-4,7-10,14,16,24H,5-6,11H2/b22-17-
InChIKeyXOWCQYKBGSEVFU-XLNRJJMWSA-N
MW377.42 g/mol
LogP3.73
Rot. Bonds5

About 3-cyclopropyl-4-[4-(difluoromethoxy)phenyl]-2-pyridin-3-ylimino-1,3-thiazolidin-4-ol

3-cyclopropyl-4-[4-(difluoromethoxy)phenyl]-2-pyridin-3-ylimino-1,3-thiazolidin-4-ol (PubChem CID 3459194) has the molecular formula C18H17F2N3O2S and a molecular weight of 377.42 g/mol. Its IUPAC name is 3-cyclopropyl-4-[4-(difluoromethoxy)phenyl]-2-pyridin-3-ylimino-1,3-thiazolidin-4-ol.

Molecular Properties

Compound Name3-cyclopropyl-4-[4-(difluoromethoxy)phenyl]-2-pyridin-3-ylimino-1,3-thiazolidin-4-ol
PubChem CID3459194
Molecular FormulaC18H17F2N3O2S
Molecular Weight377.42 g/mol
Exact Mass377.10
IUPAC Name3-cyclopropyl-4-[4-(difluoromethoxy)phenyl]-2-pyridin-3-ylimino-1,3-thiazolidin-4-ol
SMILESOC1(c2ccc(OC(F)F)cc2)CS/C(=N\c2cccnc2)N1C1CC1
InChIInChI=1S/C18H17F2N3O2S/c19-16(20)25-15-7-3-12(4-8-15)18(24)11-26-17(23(18)14-5-6-14)22-13-2-1-9-21-10-13/h1-4,7-10,14,16,24H,5-6,11H2/b22-17-
InChIKeyXOWCQYKBGSEVFU-XLNRJJMWSA-N
XLogP3.73
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 3-cyclopropyl-4-[4-(difluoromethoxy)phenyl]-2-pyridin-3-ylimino-1,3-thiazolidin-4-ol?
The IUPAC name of 3-cyclopropyl-4-[4-(difluoromethoxy)phenyl]-2-pyridin-3-ylimino-1,3-thiazolidin-4-ol (CID 3459194) is 3-cyclopropyl-4-[4-(difluoromethoxy)phenyl]-2-pyridin-3-ylimino-1,3-thiazolidin-4-ol.
What is the SMILES notation for 3-cyclopropyl-4-[4-(difluoromethoxy)phenyl]-2-pyridin-3-ylimino-1,3-thiazolidin-4-ol?
The canonical SMILES for 3-cyclopropyl-4-[4-(difluoromethoxy)phenyl]-2-pyridin-3-ylimino-1,3-thiazolidin-4-ol is OC1(c2ccc(OC(F)F)cc2)CS/C(=N\c2cccnc2)N1C1CC1.
What is the InChIKey of 3-cyclopropyl-4-[4-(difluoromethoxy)phenyl]-2-pyridin-3-ylimino-1,3-thiazolidin-4-ol?
The InChIKey is XOWCQYKBGSEVFU-XLNRJJMWSA-N. The full InChI is InChI=1S/C18H17F2N3O2S/c19-16(20)25-15-7-3-12(4-8-15)18(24)11-26-17(23(18)14-5-6-14)22-13-2-1-9-21-10-13/h1-4,7-10,14,16,24H,5-6,11H2/b22-17-.
What are the key properties of 3-cyclopropyl-4-[4-(difluoromethoxy)phenyl]-2-pyridin-3-ylimino-1,3-thiazolidin-4-ol?
3-cyclopropyl-4-[4-(difluoromethoxy)phenyl]-2-pyridin-3-ylimino-1,3-thiazolidin-4-ol has a molecular weight of 377.42 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-4-[4-(difluoromethoxy)phenyl]-2-pyridin-3-ylimino-1,3-thiazolidin-4-ol is sourced from PubChem (CID 3459194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).