2-(3,5-diiodo-4-phenylmethoxyphenyl)-4,5-dihydro-1,3-thiazole

C16H13I2NOS — CID 132593082

IUPAC2-(3,5-diiodo-4-phenylmethoxyphenyl)-4,5-dihydro-1,3-thiazole
SMILESIc1cc(C2=NCCS2)cc(I)c1OCc1ccccc1
InChIInChI=1S/C16H13I2NOS/c17-13-8-12(16-19-6-7-21-16)9-14(18)15(13)20-10-11-4-2-1-3-5-11/h1-5,8-9H,6-7,10H2
InChIKeyFHYBPJIIWTYKFX-UHFFFAOYSA-N
MW521.16 g/mol
LogP4.97
Rot. Bonds4

About 2-(3,5-diiodo-4-phenylmethoxyphenyl)-4,5-dihydro-1,3-thiazole

2-(3,5-diiodo-4-phenylmethoxyphenyl)-4,5-dihydro-1,3-thiazole (PubChem CID 132593082) has the molecular formula C16H13I2NOS and a molecular weight of 521.16 g/mol. Its IUPAC name is 2-(3,5-diiodo-4-phenylmethoxyphenyl)-4,5-dihydro-1,3-thiazole.

Molecular Properties

Compound Name2-(3,5-diiodo-4-phenylmethoxyphenyl)-4,5-dihydro-1,3-thiazole
PubChem CID132593082
Molecular FormulaC16H13I2NOS
Molecular Weight521.16 g/mol
Exact Mass520.88
IUPAC Name2-(3,5-diiodo-4-phenylmethoxyphenyl)-4,5-dihydro-1,3-thiazole
SMILESIc1cc(C2=NCCS2)cc(I)c1OCc1ccccc1
InChIInChI=1S/C16H13I2NOS/c17-13-8-12(16-19-6-7-21-16)9-14(18)15(13)20-10-11-4-2-1-3-5-11/h1-5,8-9H,6-7,10H2
InChIKeyFHYBPJIIWTYKFX-UHFFFAOYSA-N
XLogP4.97
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500521.16
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[(3,4-dichlorophenyl)methoxy]-3,5-diiodophenyl]-4,5-dihydro-1,3-thiazole
CID 132593092
2-[3-ethoxy-5-iodo-4-[(3-methylphenyl)methoxy]phenyl]-4,5-dihydro-1,3-thiazole
CID 132592985
2-phenylmethoxy-4,5-dihydro-1,3-thiazole
CID 174841495
2-[3,5-dichloro-4-[(2-fluorophenyl)methoxy]phenyl]-4,5-dihydro-1,3-thiazole
CID 132593001
2-[3-chloro-4-[(4-methylphenyl)methoxy]phenyl]-4,5-dihydro-1,3-thiazole
CID 132593167
(2S)-2-amino-3-(3,5-diiodo-4-phenylmethoxyphenyl)propanoic acid
CID 71395160
1-bromo-5-fluoro-3-iodo-2-phenylmethoxybenzene
CID 171367726
(5E)-5-[(3,5-diiodo-4-phenylmethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 91690869
1-iodo-3,5-bis(phenylmethoxy)benzene
CID 15389195
(2R,4R)-2-(3,5-diiodo-4-phenylmethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 7567923
4-fluoro-6-iodo-5-phenylmethoxy-2,3-dihydro-1H-indene
CID 175348033
1-iodo-4,5-dimethoxy-3-methyl-2-phenylmethoxybenzene
CID 11143485

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-diiodo-4-phenylmethoxyphenyl)-4,5-dihydro-1,3-thiazole?
The IUPAC name of 2-(3,5-diiodo-4-phenylmethoxyphenyl)-4,5-dihydro-1,3-thiazole (CID 132593082) is 2-(3,5-diiodo-4-phenylmethoxyphenyl)-4,5-dihydro-1,3-thiazole.
What is the SMILES notation for 2-(3,5-diiodo-4-phenylmethoxyphenyl)-4,5-dihydro-1,3-thiazole?
The canonical SMILES for 2-(3,5-diiodo-4-phenylmethoxyphenyl)-4,5-dihydro-1,3-thiazole is Ic1cc(C2=NCCS2)cc(I)c1OCc1ccccc1.
What is the InChIKey of 2-(3,5-diiodo-4-phenylmethoxyphenyl)-4,5-dihydro-1,3-thiazole?
The InChIKey is FHYBPJIIWTYKFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13I2NOS/c17-13-8-12(16-19-6-7-21-16)9-14(18)15(13)20-10-11-4-2-1-3-5-11/h1-5,8-9H,6-7,10H2.
What are the key properties of 2-(3,5-diiodo-4-phenylmethoxyphenyl)-4,5-dihydro-1,3-thiazole?
2-(3,5-diiodo-4-phenylmethoxyphenyl)-4,5-dihydro-1,3-thiazole has a molecular weight of 521.16 g/mol, XLogP of 4.97, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-diiodo-4-phenylmethoxyphenyl)-4,5-dihydro-1,3-thiazole is sourced from PubChem (CID 132593082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).