1-(4-fluorophenyl)-N-methoxy-3-[4-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-imine

C18H20FN3OS — CID 72975289

IUPAC1-(4-fluorophenyl)-N-methoxy-3-[4-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-imine
SMILESCON=C(CCN1CC=C(c2nccs2)CC1)c1ccc(F)cc1
InChIInChI=1S/C18H20FN3OS/c1-23-21-17(14-2-4-16(19)5-3-14)8-12-22-10-6-15(7-11-22)18-20-9-13-24-18/h2-6,9,13H,7-8,10-12H2,1H3
InChIKeyVVEOMHDIRPAXKQ-UHFFFAOYSA-N
MW345.44 g/mol
LogP3.81
Rot. Bonds6

About 1-(4-fluorophenyl)-N-methoxy-3-[4-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-imine

1-(4-fluorophenyl)-N-methoxy-3-[4-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-imine (PubChem CID 72975289) has the molecular formula C18H20FN3OS and a molecular weight of 345.44 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-methoxy-3-[4-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-imine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-methoxy-3-[4-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-imine
PubChem CID72975289
Molecular FormulaC18H20FN3OS
Molecular Weight345.44 g/mol
Exact Mass345.13
IUPAC Name1-(4-fluorophenyl)-N-methoxy-3-[4-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-imine
SMILESCON=C(CCN1CC=C(c2nccs2)CC1)c1ccc(F)cc1
InChIInChI=1S/C18H20FN3OS/c1-23-21-17(14-2-4-16(19)5-3-14)8-12-22-10-6-15(7-11-22)18-20-9-13-24-18/h2-6,9,13H,7-8,10-12H2,1H3
InChIKeyVVEOMHDIRPAXKQ-UHFFFAOYSA-N
XLogP3.81
TPSA37.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-methoxy-3-[4-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-imine?
The IUPAC name of 1-(4-fluorophenyl)-N-methoxy-3-[4-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-imine (CID 72975289) is 1-(4-fluorophenyl)-N-methoxy-3-[4-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-imine.
What is the SMILES notation for 1-(4-fluorophenyl)-N-methoxy-3-[4-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-imine?
The canonical SMILES for 1-(4-fluorophenyl)-N-methoxy-3-[4-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-imine is CON=C(CCN1CC=C(c2nccs2)CC1)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-N-methoxy-3-[4-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-imine?
The InChIKey is VVEOMHDIRPAXKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3OS/c1-23-21-17(14-2-4-16(19)5-3-14)8-12-22-10-6-15(7-11-22)18-20-9-13-24-18/h2-6,9,13H,7-8,10-12H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-N-methoxy-3-[4-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-imine?
1-(4-fluorophenyl)-N-methoxy-3-[4-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-imine has a molecular weight of 345.44 g/mol, XLogP of 3.81, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-methoxy-3-[4-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-imine is sourced from PubChem (CID 72975289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).