2-[3-ethoxy-5-iodo-4-[(3-methylphenyl)methoxy]phenyl]-4,5-dihydro-1,3-thiazole

C19H20INO2S — CID 132592985

IUPAC2-[3-ethoxy-5-iodo-4-[(3-methylphenyl)methoxy]phenyl]-4,5-dihydro-1,3-thiazole
SMILESCCOc1cc(C2=NCCS2)cc(I)c1OCc1cccc(C)c1
InChIInChI=1S/C19H20INO2S/c1-3-22-17-11-15(19-21-7-8-24-19)10-16(20)18(17)23-12-14-6-4-5-13(2)9-14/h4-6,9-11H,3,7-8,12H2,1-2H3
InChIKeyNLJXUWFDDGWJKI-UHFFFAOYSA-N
MW453.35 g/mol
LogP5.07
Rot. Bonds6

About 2-[3-ethoxy-5-iodo-4-[(3-methylphenyl)methoxy]phenyl]-4,5-dihydro-1,3-thiazole

2-[3-ethoxy-5-iodo-4-[(3-methylphenyl)methoxy]phenyl]-4,5-dihydro-1,3-thiazole (PubChem CID 132592985) has the molecular formula C19H20INO2S and a molecular weight of 453.35 g/mol. Its IUPAC name is 2-[3-ethoxy-5-iodo-4-[(3-methylphenyl)methoxy]phenyl]-4,5-dihydro-1,3-thiazole.

Molecular Properties

Compound Name2-[3-ethoxy-5-iodo-4-[(3-methylphenyl)methoxy]phenyl]-4,5-dihydro-1,3-thiazole
PubChem CID132592985
Molecular FormulaC19H20INO2S
Molecular Weight453.35 g/mol
Exact Mass453.03
IUPAC Name2-[3-ethoxy-5-iodo-4-[(3-methylphenyl)methoxy]phenyl]-4,5-dihydro-1,3-thiazole
SMILESCCOc1cc(C2=NCCS2)cc(I)c1OCc1cccc(C)c1
InChIInChI=1S/C19H20INO2S/c1-3-22-17-11-15(19-21-7-8-24-19)10-16(20)18(17)23-12-14-6-4-5-13(2)9-14/h4-6,9-11H,3,7-8,12H2,1-2H3
InChIKeyNLJXUWFDDGWJKI-UHFFFAOYSA-N
XLogP5.07
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.35
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3,5-diiodo-4-phenylmethoxyphenyl)-4,5-dihydro-1,3-thiazole
CID 132593082
3-ethoxy-5-iodo-4-[(3-methylphenyl)methoxy]benzaldehyde
CID 1342243
1-(bromomethyl)-3-ethoxy-2-[(3-methylphenyl)methoxy]benzene
CID 43174682
2-[3-bromo-5-chloro-4-[(3-chlorophenyl)methoxy]phenyl]-4,5-dihydro-1,3-thiazole
CID 132593104
[3-bromo-5-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]methanamine
CID 43626842
1-cyclohexyl-5-[[3-ethoxy-5-iodo-4-[(3-methylphenyl)methoxy]phenyl]methylidene]-1,3-diazinane-2,4,6-trione
CID 5032565
(5E)-3-(3-chlorophenyl)-5-[[3-ethoxy-5-iodo-4-[(3-methylphenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione
CID 126071686
(5E)-2-(2,3-dichlorophenyl)imino-5-[[3-ethoxy-5-iodo-4-[(3-methylphenyl)methoxy]phenyl]methylidene]-1,3-thiazolidin-4-one
CID 137079889
(4Z)-4-[[3-bromo-5-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]methylidene]-2-(4-iodophenyl)-1,3-oxazol-5-one
CID 19670607
N-(2,5-dimethylphenyl)-1-(3-ethoxy-5-iodo-4-phenylmethoxyphenyl)methanimine
CID 126223793
3-ethoxy-5-iodo-4-phenylmethoxybenzoyl chloride
CID 91682355
(4Z)-4-[[3-bromo-5-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]methylidene]-2-(3-bromo-4-iodophenyl)-1,3-oxazol-5-one
CID 19671151

Frequently Asked Questions

What is the IUPAC name of 2-[3-ethoxy-5-iodo-4-[(3-methylphenyl)methoxy]phenyl]-4,5-dihydro-1,3-thiazole?
The IUPAC name of 2-[3-ethoxy-5-iodo-4-[(3-methylphenyl)methoxy]phenyl]-4,5-dihydro-1,3-thiazole (CID 132592985) is 2-[3-ethoxy-5-iodo-4-[(3-methylphenyl)methoxy]phenyl]-4,5-dihydro-1,3-thiazole.
What is the SMILES notation for 2-[3-ethoxy-5-iodo-4-[(3-methylphenyl)methoxy]phenyl]-4,5-dihydro-1,3-thiazole?
The canonical SMILES for 2-[3-ethoxy-5-iodo-4-[(3-methylphenyl)methoxy]phenyl]-4,5-dihydro-1,3-thiazole is CCOc1cc(C2=NCCS2)cc(I)c1OCc1cccc(C)c1.
What is the InChIKey of 2-[3-ethoxy-5-iodo-4-[(3-methylphenyl)methoxy]phenyl]-4,5-dihydro-1,3-thiazole?
The InChIKey is NLJXUWFDDGWJKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20INO2S/c1-3-22-17-11-15(19-21-7-8-24-19)10-16(20)18(17)23-12-14-6-4-5-13(2)9-14/h4-6,9-11H,3,7-8,12H2,1-2H3.
What are the key properties of 2-[3-ethoxy-5-iodo-4-[(3-methylphenyl)methoxy]phenyl]-4,5-dihydro-1,3-thiazole?
2-[3-ethoxy-5-iodo-4-[(3-methylphenyl)methoxy]phenyl]-4,5-dihydro-1,3-thiazole has a molecular weight of 453.35 g/mol, XLogP of 5.07, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-ethoxy-5-iodo-4-[(3-methylphenyl)methoxy]phenyl]-4,5-dihydro-1,3-thiazole is sourced from PubChem (CID 132592985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).