1-[4-(4-iodophenyl)-1,3-thiazol-2-yl]ethanone

C11H8INOS — CID 104623092

IUPAC1-[4-(4-iodophenyl)-1,3-thiazol-2-yl]ethanone
SMILESCC(=O)c1nc(-c2ccc(I)cc2)cs1
InChIInChI=1S/C11H8INOS/c1-7(14)11-13-10(6-15-11)8-2-4-9(12)5-3-8/h2-6H,1H3
InChIKeyOOLISDZHZBISJH-UHFFFAOYSA-N
MW329.16 g/mol
LogP3.62
Rot. Bonds2

About 1-[4-(4-iodophenyl)-1,3-thiazol-2-yl]ethanone

1-[4-(4-iodophenyl)-1,3-thiazol-2-yl]ethanone (PubChem CID 104623092) has the molecular formula C11H8INOS and a molecular weight of 329.16 g/mol. Its IUPAC name is 1-[4-(4-iodophenyl)-1,3-thiazol-2-yl]ethanone.

Molecular Properties

Compound Name1-[4-(4-iodophenyl)-1,3-thiazol-2-yl]ethanone
PubChem CID104623092
Molecular FormulaC11H8INOS
Molecular Weight329.16 g/mol
Exact Mass328.94
IUPAC Name1-[4-(4-iodophenyl)-1,3-thiazol-2-yl]ethanone
SMILESCC(=O)c1nc(-c2ccc(I)cc2)cs1
InChIInChI=1S/C11H8INOS/c1-7(14)11-13-10(6-15-11)8-2-4-9(12)5-3-8/h2-6H,1H3
InChIKeyOOLISDZHZBISJH-UHFFFAOYSA-N
XLogP3.62
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.16
LogP ≤ 53.62
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

1-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]ethanone
CID 63523872
1-[4-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,3-thiazol-2-yl]ethanone
CID 95478159
1-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]ethanone
CID 63524922
1-[4-(1,3-benzoxazol-6-yl)-1,3-thiazol-2-yl]ethanone
CID 116867478
1-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]ethanone
CID 46785544
1-[4-(1-methylbenzimidazol-5-yl)-1,3-thiazol-2-yl]ethanone
CID 116867483
1-[amino-[4-(4-iodophenyl)-1,3-thiazol-2-yl]amino]propan-2-one
CID 175121716
4-(4-phenylphenyl)-1,3-thiazole-2-carboxylic acid
CID 79567342
1-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]ethanone
CID 46785541
4-(3,4-dimethylphenyl)-1,3-thiazole-2-carboxamide
CID 19375996
1-[4-(2,3,5,6-tetramethylphenyl)-1,3-thiazol-2-yl]ethanone
CID 82301242
4-(4-chlorophenyl)-1,3-thiazole-2-carboxamide
CID 10130961

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-iodophenyl)-1,3-thiazol-2-yl]ethanone?
The IUPAC name of 1-[4-(4-iodophenyl)-1,3-thiazol-2-yl]ethanone (CID 104623092) is 1-[4-(4-iodophenyl)-1,3-thiazol-2-yl]ethanone.
What is the SMILES notation for 1-[4-(4-iodophenyl)-1,3-thiazol-2-yl]ethanone?
The canonical SMILES for 1-[4-(4-iodophenyl)-1,3-thiazol-2-yl]ethanone is CC(=O)c1nc(-c2ccc(I)cc2)cs1.
What is the InChIKey of 1-[4-(4-iodophenyl)-1,3-thiazol-2-yl]ethanone?
The InChIKey is OOLISDZHZBISJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8INOS/c1-7(14)11-13-10(6-15-11)8-2-4-9(12)5-3-8/h2-6H,1H3.
What are the key properties of 1-[4-(4-iodophenyl)-1,3-thiazol-2-yl]ethanone?
1-[4-(4-iodophenyl)-1,3-thiazol-2-yl]ethanone has a molecular weight of 329.16 g/mol, XLogP of 3.62, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-iodophenyl)-1,3-thiazol-2-yl]ethanone is sourced from PubChem (CID 104623092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).