2-[(2-iodophenoxy)methyl]-4-methyl-1,3-thiazole

C11H10INOS — CID 79025552

IUPAC2-[(2-iodophenoxy)methyl]-4-methyl-1,3-thiazole
SMILESCc1csc(COc2ccccc2I)n1
InChIInChI=1S/C11H10INOS/c1-8-7-15-11(13-8)6-14-10-5-3-2-4-9(10)12/h2-5,7H,6H2,1H3
InChIKeyVEWMRZQFPOXYOM-UHFFFAOYSA-N
MW331.18 g/mol
LogP3.64
Rot. Bonds3

About 2-[(2-iodophenoxy)methyl]-4-methyl-1,3-thiazole

2-[(2-iodophenoxy)methyl]-4-methyl-1,3-thiazole (PubChem CID 79025552) has the molecular formula C11H10INOS and a molecular weight of 331.18 g/mol. Its IUPAC name is 2-[(2-iodophenoxy)methyl]-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-[(2-iodophenoxy)methyl]-4-methyl-1,3-thiazole
PubChem CID79025552
Molecular FormulaC11H10INOS
Molecular Weight331.18 g/mol
Exact Mass330.95
IUPAC Name2-[(2-iodophenoxy)methyl]-4-methyl-1,3-thiazole
SMILESCc1csc(COc2ccccc2I)n1
InChIInChI=1S/C11H10INOS/c1-8-7-15-11(13-8)6-14-10-5-3-2-4-9(10)12/h2-5,7H,6H2,1H3
InChIKeyVEWMRZQFPOXYOM-UHFFFAOYSA-N
XLogP3.64
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.18
LogP ≤ 53.64
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-[2-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]acetic acid
CID 80741744
4-methyl-2-[(4-methylphenoxy)methyl]-1,3-thiazole
CID 78998169
1-[2-chloro-6-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]butan-2-amine
CID 114321984
4-fluoro-2-[(4-methyl-1,3-thiazol-2-yl)methoxy]benzoic acid
CID 107014172
2-[(2-methoxyphenoxy)methyl]-4-phenyl-1,3-thiazole
CID 2747349
1-[2-[(2-methylphenoxy)methyl]-1,3-thiazol-4-yl]ethanamine
CID 20982880
N-methyl-4-[(4-methyl-1,3-thiazol-2-yl)methoxy]aniline
CID 39205098
N-[[5-fluoro-2-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]methyl]ethanamine
CID 107695622
1-(2-methoxyphenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one
CID 62797036
2-[(2-iodophenoxy)methyl]-3-methylpyridine
CID 112549846
(1R)-1-[4-methoxy-2-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]ethanamine
CID 82000081
(1R)-1-[4-bromo-2-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]ethanol
CID 102948904

Frequently Asked Questions

What is the IUPAC name of 2-[(2-iodophenoxy)methyl]-4-methyl-1,3-thiazole?
The IUPAC name of 2-[(2-iodophenoxy)methyl]-4-methyl-1,3-thiazole (CID 79025552) is 2-[(2-iodophenoxy)methyl]-4-methyl-1,3-thiazole.
What is the SMILES notation for 2-[(2-iodophenoxy)methyl]-4-methyl-1,3-thiazole?
The canonical SMILES for 2-[(2-iodophenoxy)methyl]-4-methyl-1,3-thiazole is Cc1csc(COc2ccccc2I)n1.
What is the InChIKey of 2-[(2-iodophenoxy)methyl]-4-methyl-1,3-thiazole?
The InChIKey is VEWMRZQFPOXYOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10INOS/c1-8-7-15-11(13-8)6-14-10-5-3-2-4-9(10)12/h2-5,7H,6H2,1H3.
What are the key properties of 2-[(2-iodophenoxy)methyl]-4-methyl-1,3-thiazole?
2-[(2-iodophenoxy)methyl]-4-methyl-1,3-thiazole has a molecular weight of 331.18 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-iodophenoxy)methyl]-4-methyl-1,3-thiazole is sourced from PubChem (CID 79025552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).