1-pyridin-4-yl-N-[2-[4-(1,3-thiazolidin-5-ylmethyl)phenoxy]ethoxy]methanimine

C18H21N3O2S — CID 139712897

IUPAC1-pyridin-4-yl-N-[2-[4-(1,3-thiazolidin-5-ylmethyl)phenoxy]ethoxy]methanimine
SMILESC(=NOCCOc1ccc(CC2CNCS2)cc1)c1ccncc1
InChIInChI=1S/C18H21N3O2S/c1-3-17(4-2-15(1)11-18-13-20-14-24-18)22-9-10-23-21-12-16-5-7-19-8-6-16/h1-8,12,18,20H,9-11,13-14H2
InChIKeyQVUFZCZHXYBZGE-UHFFFAOYSA-N
MW343.45 g/mol
LogP2.72
Rot. Bonds8

About 1-pyridin-4-yl-N-[2-[4-(1,3-thiazolidin-5-ylmethyl)phenoxy]ethoxy]methanimine

1-pyridin-4-yl-N-[2-[4-(1,3-thiazolidin-5-ylmethyl)phenoxy]ethoxy]methanimine (PubChem CID 139712897) has the molecular formula C18H21N3O2S and a molecular weight of 343.45 g/mol. Its IUPAC name is 1-pyridin-4-yl-N-[2-[4-(1,3-thiazolidin-5-ylmethyl)phenoxy]ethoxy]methanimine.

Molecular Properties

Compound Name1-pyridin-4-yl-N-[2-[4-(1,3-thiazolidin-5-ylmethyl)phenoxy]ethoxy]methanimine
PubChem CID139712897
Molecular FormulaC18H21N3O2S
Molecular Weight343.45 g/mol
Exact Mass343.14
IUPAC Name1-pyridin-4-yl-N-[2-[4-(1,3-thiazolidin-5-ylmethyl)phenoxy]ethoxy]methanimine
SMILESC(=NOCCOc1ccc(CC2CNCS2)cc1)c1ccncc1
InChIInChI=1S/C18H21N3O2S/c1-3-17(4-2-15(1)11-18-13-20-14-24-18)22-9-10-23-21-12-16-5-7-19-8-6-16/h1-8,12,18,20H,9-11,13-14H2
InChIKeyQVUFZCZHXYBZGE-UHFFFAOYSA-N
XLogP2.72
TPSA55.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[4-(1,3-thiazolidin-5-ylmethyl)phenoxy]acetaldehyde
CID 139672060
N-methyl-N-[2-[4-(1,3-thiazolidin-5-ylmethyl)phenoxy]ethyl]pyrimidin-2-amine
CID 140996588
[3-[C-methyl-N-[2-[4-(1,3-thiazolidin-5-ylmethyl)phenoxy]ethoxy]carbonimidoyl]phenyl] acetate
CID 139712877
5-[[4-[2-(2,3-dihydroindol-1-yl)ethoxy]phenyl]methyl]-1,3-thiazolidine
CID 141169067
N-methyl-N-[2-[4-(1,3-thiazolidin-5-ylmethyl)phenoxy]ethyl]-7H-purin-6-amine
CID 141038307
5-[[4-[(2S)-2-(5-ethyl-2-pyridinyl)-2-fluoroethoxy]phenyl]methyl]-1,3-thiazolidine
CID 141312441
1-quinolin-2-yl-N-[2-[4-[(3-trityl-1,3-thiazolidin-5-yl)methyl]phenoxy]ethoxy]methanimine
CID 139712934
4-[(E)-2-[4-[2-[2-[2-[2-[2-[4-[(E)-2-pyridin-4-ylethenyl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]ethenyl]pyridine
CID 102398908
methyl 2-[(2-aminoacetyl)amino]-3-[4-[4-(1,3-thiazolidin-5-ylmethyl)phenoxy]phenyl]propanoate
CID 154456795
5-[[4-[[(2S)-1-(4-methylquinolin-2-yl)pyrrolidin-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine
CID 140995182
4-hydroxy-5-[[4-[2-(pyridin-2-ylmethylideneamino)oxyethoxy]phenyl]methyl]-3H-1,3-thiazol-2-one
CID 54066721
5-[[4-[2-[(6-ethoxy-3-pyridinyl)methylideneamino]oxyethoxy]phenyl]methyl]-3-trityl-1,3-thiazolidine-2,4-dione
CID 86751800

Frequently Asked Questions

What is the IUPAC name of 1-pyridin-4-yl-N-[2-[4-(1,3-thiazolidin-5-ylmethyl)phenoxy]ethoxy]methanimine?
The IUPAC name of 1-pyridin-4-yl-N-[2-[4-(1,3-thiazolidin-5-ylmethyl)phenoxy]ethoxy]methanimine (CID 139712897) is 1-pyridin-4-yl-N-[2-[4-(1,3-thiazolidin-5-ylmethyl)phenoxy]ethoxy]methanimine.
What is the SMILES notation for 1-pyridin-4-yl-N-[2-[4-(1,3-thiazolidin-5-ylmethyl)phenoxy]ethoxy]methanimine?
The canonical SMILES for 1-pyridin-4-yl-N-[2-[4-(1,3-thiazolidin-5-ylmethyl)phenoxy]ethoxy]methanimine is C(=NOCCOc1ccc(CC2CNCS2)cc1)c1ccncc1.
What is the InChIKey of 1-pyridin-4-yl-N-[2-[4-(1,3-thiazolidin-5-ylmethyl)phenoxy]ethoxy]methanimine?
The InChIKey is QVUFZCZHXYBZGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2S/c1-3-17(4-2-15(1)11-18-13-20-14-24-18)22-9-10-23-21-12-16-5-7-19-8-6-16/h1-8,12,18,20H,9-11,13-14H2.
What are the key properties of 1-pyridin-4-yl-N-[2-[4-(1,3-thiazolidin-5-ylmethyl)phenoxy]ethoxy]methanimine?
1-pyridin-4-yl-N-[2-[4-(1,3-thiazolidin-5-ylmethyl)phenoxy]ethoxy]methanimine has a molecular weight of 343.45 g/mol, XLogP of 2.72, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-4-yl-N-[2-[4-(1,3-thiazolidin-5-ylmethyl)phenoxy]ethoxy]methanimine is sourced from PubChem (CID 139712897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).