4-[[4-[2-chloro-2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methylidene]-1,3-thiazolidine

C19H21ClN2OS — CID 66823574

IUPAC4-[[4-[2-chloro-2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methylidene]-1,3-thiazolidine
SMILESCCc1ccc(C(Cl)COc2ccc(C=C3CSCN3)cc2)nc1
InChIInChI=1S/C19H21ClN2OS/c1-2-14-5-8-19(21-10-14)18(20)11-23-17-6-3-15(4-7-17)9-16-12-24-13-22-16/h3-10,18,22H,2,11-13H2,1H3
InChIKeyDUMUNRSNVQYNJE-UHFFFAOYSA-N
MW360.91 g/mol
LogP4.64
Rot. Bonds6

About 4-[[4-[2-chloro-2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methylidene]-1,3-thiazolidine

4-[[4-[2-chloro-2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methylidene]-1,3-thiazolidine (PubChem CID 66823574) has the molecular formula C19H21ClN2OS and a molecular weight of 360.91 g/mol. Its IUPAC name is 4-[[4-[2-chloro-2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methylidene]-1,3-thiazolidine.

Molecular Properties

Compound Name4-[[4-[2-chloro-2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methylidene]-1,3-thiazolidine
PubChem CID66823574
Molecular FormulaC19H21ClN2OS
Molecular Weight360.91 g/mol
Exact Mass360.11
IUPAC Name4-[[4-[2-chloro-2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methylidene]-1,3-thiazolidine
SMILESCCc1ccc(C(Cl)COc2ccc(C=C3CSCN3)cc2)nc1
InChIInChI=1S/C19H21ClN2OS/c1-2-14-5-8-19(21-10-14)18(20)11-23-17-6-3-15(4-7-17)9-16-12-24-13-22-16/h3-10,18,22H,2,11-13H2,1H3
InChIKeyDUMUNRSNVQYNJE-UHFFFAOYSA-N
XLogP4.64
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.91
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-[2-chloro-2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methylidene]-1,3-thiazolidine?
The IUPAC name of 4-[[4-[2-chloro-2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methylidene]-1,3-thiazolidine (CID 66823574) is 4-[[4-[2-chloro-2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methylidene]-1,3-thiazolidine.
What is the SMILES notation for 4-[[4-[2-chloro-2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methylidene]-1,3-thiazolidine?
The canonical SMILES for 4-[[4-[2-chloro-2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methylidene]-1,3-thiazolidine is CCc1ccc(C(Cl)COc2ccc(C=C3CSCN3)cc2)nc1.
What is the InChIKey of 4-[[4-[2-chloro-2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methylidene]-1,3-thiazolidine?
The InChIKey is DUMUNRSNVQYNJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2OS/c1-2-14-5-8-19(21-10-14)18(20)11-23-17-6-3-15(4-7-17)9-16-12-24-13-22-16/h3-10,18,22H,2,11-13H2,1H3.
What are the key properties of 4-[[4-[2-chloro-2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methylidene]-1,3-thiazolidine?
4-[[4-[2-chloro-2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methylidene]-1,3-thiazolidine has a molecular weight of 360.91 g/mol, XLogP of 4.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[2-chloro-2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methylidene]-1,3-thiazolidine is sourced from PubChem (CID 66823574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).