2-[4-[(3,4-dichlorophenyl)methoxy]-3,5-diiodophenyl]-4,5-dihydro-1,3-thiazole

C16H11Cl2I2NOS — CID 132593092

IUPAC2-[4-[(3,4-dichlorophenyl)methoxy]-3,5-diiodophenyl]-4,5-dihydro-1,3-thiazole
SMILESClc1ccc(COc2c(I)cc(C3=NCCS3)cc2I)cc1Cl
InChIInChI=1S/C16H11Cl2I2NOS/c17-11-2-1-9(5-12(11)18)8-22-15-13(19)6-10(7-14(15)20)16-21-3-4-23-16/h1-2,5-7H,3-4,8H2
InChIKeyMYEDLMAOVYZXCU-UHFFFAOYSA-N
MW590.05 g/mol
LogP6.28
Rot. Bonds4

About 2-[4-[(3,4-dichlorophenyl)methoxy]-3,5-diiodophenyl]-4,5-dihydro-1,3-thiazole

2-[4-[(3,4-dichlorophenyl)methoxy]-3,5-diiodophenyl]-4,5-dihydro-1,3-thiazole (PubChem CID 132593092) has the molecular formula C16H11Cl2I2NOS and a molecular weight of 590.05 g/mol. Its IUPAC name is 2-[4-[(3,4-dichlorophenyl)methoxy]-3,5-diiodophenyl]-4,5-dihydro-1,3-thiazole.

Molecular Properties

Compound Name2-[4-[(3,4-dichlorophenyl)methoxy]-3,5-diiodophenyl]-4,5-dihydro-1,3-thiazole
PubChem CID132593092
Molecular FormulaC16H11Cl2I2NOS
Molecular Weight590.05 g/mol
Exact Mass588.80
IUPAC Name2-[4-[(3,4-dichlorophenyl)methoxy]-3,5-diiodophenyl]-4,5-dihydro-1,3-thiazole
SMILESClc1ccc(COc2c(I)cc(C3=NCCS3)cc2I)cc1Cl
InChIInChI=1S/C16H11Cl2I2NOS/c17-11-2-1-9(5-12(11)18)8-22-15-13(19)6-10(7-14(15)20)16-21-3-4-23-16/h1-2,5-7H,3-4,8H2
InChIKeyMYEDLMAOVYZXCU-UHFFFAOYSA-N
XLogP6.28
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.05
LogP ≤ 56.28
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-(3,5-diiodo-4-phenylmethoxyphenyl)-4,5-dihydro-1,3-thiazole
CID 132593082
2-[3-ethoxy-5-iodo-4-[(3-methylphenyl)methoxy]phenyl]-4,5-dihydro-1,3-thiazole
CID 132592985
2-[3-bromo-5-chloro-4-[(3-chlorophenyl)methoxy]phenyl]-4,5-dihydro-1,3-thiazole
CID 132593104
(NZ)-N-[[4-[(3,4-dichlorophenyl)methoxy]-3,5-diiodophenyl]methylidene]hydroxylamine
CID 91689806
[4-[(3,4-dichlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methanol
CID 1319055
3,5-dichloro-4-[(3,4-dichlorophenyl)methoxy]phenol
CID 54127176
4-[(3,4-dichlorophenyl)methoxy]-3-iodo-5-methoxybenzonitrile
CID 91683464
4-[(3,4-dichlorophenyl)methoxy]-3-ethoxy-5-iodobenzonitrile
CID 91683465
1,5-dichloro-3-(chloromethyl)-2-[(3,4-dichlorophenyl)methoxy]benzene
CID 63536214
[2-[(3,4-dichlorophenyl)methoxy]-3,4-dimethylphenyl]methanol
CID 97179315
1,2-dichloro-4-[[4-(chloromethyl)phenoxy]methyl]benzene
CID 22280207
1,2-dichloro-4-(hydroperoxymethyl)benzene
CID 166873402

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3,4-dichlorophenyl)methoxy]-3,5-diiodophenyl]-4,5-dihydro-1,3-thiazole?
The IUPAC name of 2-[4-[(3,4-dichlorophenyl)methoxy]-3,5-diiodophenyl]-4,5-dihydro-1,3-thiazole (CID 132593092) is 2-[4-[(3,4-dichlorophenyl)methoxy]-3,5-diiodophenyl]-4,5-dihydro-1,3-thiazole.
What is the SMILES notation for 2-[4-[(3,4-dichlorophenyl)methoxy]-3,5-diiodophenyl]-4,5-dihydro-1,3-thiazole?
The canonical SMILES for 2-[4-[(3,4-dichlorophenyl)methoxy]-3,5-diiodophenyl]-4,5-dihydro-1,3-thiazole is Clc1ccc(COc2c(I)cc(C3=NCCS3)cc2I)cc1Cl.
What is the InChIKey of 2-[4-[(3,4-dichlorophenyl)methoxy]-3,5-diiodophenyl]-4,5-dihydro-1,3-thiazole?
The InChIKey is MYEDLMAOVYZXCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2I2NOS/c17-11-2-1-9(5-12(11)18)8-22-15-13(19)6-10(7-14(15)20)16-21-3-4-23-16/h1-2,5-7H,3-4,8H2.
What are the key properties of 2-[4-[(3,4-dichlorophenyl)methoxy]-3,5-diiodophenyl]-4,5-dihydro-1,3-thiazole?
2-[4-[(3,4-dichlorophenyl)methoxy]-3,5-diiodophenyl]-4,5-dihydro-1,3-thiazole has a molecular weight of 590.05 g/mol, XLogP of 6.28, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3,4-dichlorophenyl)methoxy]-3,5-diiodophenyl]-4,5-dihydro-1,3-thiazole is sourced from PubChem (CID 132593092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).