2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(4-iodophenyl)acetamide

C12H10ClIN2OS — CID 43319978

IUPAC2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(4-iodophenyl)acetamide
SMILESO=C(Cc1nc(CCl)cs1)Nc1ccc(I)cc1
InChIInChI=1S/C12H10ClIN2OS/c13-6-10-7-18-12(16-10)5-11(17)15-9-3-1-8(14)2-4-9/h1-4,7H,5-6H2,(H,15,17)
InChIKeyYQYJBHIITHYBGG-UHFFFAOYSA-N
MW392.65 g/mol
LogP3.67
Rot. Bonds4

About 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(4-iodophenyl)acetamide

2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(4-iodophenyl)acetamide (PubChem CID 43319978) has the molecular formula C12H10ClIN2OS and a molecular weight of 392.65 g/mol. Its IUPAC name is 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(4-iodophenyl)acetamide.

Molecular Properties

Compound Name2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(4-iodophenyl)acetamide
PubChem CID43319978
Molecular FormulaC12H10ClIN2OS
Molecular Weight392.65 g/mol
Exact Mass391.92
IUPAC Name2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(4-iodophenyl)acetamide
SMILESO=C(Cc1nc(CCl)cs1)Nc1ccc(I)cc1
InChIInChI=1S/C12H10ClIN2OS/c13-6-10-7-18-12(16-10)5-11(17)15-9-3-1-8(14)2-4-9/h1-4,7H,5-6H2,(H,15,17)
InChIKeyYQYJBHIITHYBGG-UHFFFAOYSA-N
XLogP3.67
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.65
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(4-chlorophenyl)acetamide
CID 43244296
2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(4-methylsulfonylphenyl)acetamide
CID 43320120
2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(4-fluoro-3-methylphenyl)acetamide
CID 62812228
N-(3-bromo-4-methylphenyl)-2-[4-(chloromethyl)-1,3-thiazol-2-yl]acetamide
CID 63334584
2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(3,4-dimethoxyphenyl)acetamide
CID 43320057
2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-methylacetamide
CID 16768117
2-(2-amino-1,3-thiazol-4-yl)-N-(4-iodophenyl)acetamide
CID 12686359
N-(4-bromo-3-methoxyphenyl)-2-[4-(chloromethyl)-1,3-thiazol-2-yl]acetamide
CID 82860270
2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(2,4,6-tribromophenyl)acetamide
CID 43319976
N-(4-tert-butylphenyl)-2-[4-(hydroxymethyl)-1,3-thiazol-2-yl]acetamide
CID 82155172
2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(1,2,4-triazin-3-yl)acetamide
CID 114388829
2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-cyclopropylacetamide
CID 16767849

Frequently Asked Questions

What is the IUPAC name of 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(4-iodophenyl)acetamide?
The IUPAC name of 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(4-iodophenyl)acetamide (CID 43319978) is 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(4-iodophenyl)acetamide.
What is the SMILES notation for 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(4-iodophenyl)acetamide?
The canonical SMILES for 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(4-iodophenyl)acetamide is O=C(Cc1nc(CCl)cs1)Nc1ccc(I)cc1.
What is the InChIKey of 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(4-iodophenyl)acetamide?
The InChIKey is YQYJBHIITHYBGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClIN2OS/c13-6-10-7-18-12(16-10)5-11(17)15-9-3-1-8(14)2-4-9/h1-4,7H,5-6H2,(H,15,17).
What are the key properties of 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(4-iodophenyl)acetamide?
2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(4-iodophenyl)acetamide has a molecular weight of 392.65 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(4-iodophenyl)acetamide is sourced from PubChem (CID 43319978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).