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

C13H12ClFN2OS — CID 62812228

IUPAC2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(4-fluoro-3-methylphenyl)acetamide
SMILESCc1cc(NC(=O)Cc2nc(CCl)cs2)ccc1F
InChIInChI=1S/C13H12ClFN2OS/c1-8-4-9(2-3-11(8)15)16-12(18)5-13-17-10(6-14)7-19-13/h2-4,7H,5-6H2,1H3,(H,16,18)
InChIKeyABXXTKRYLUSBTG-UHFFFAOYSA-N
MW298.77 g/mol
LogP3.51
Rot. Bonds4

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

2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(4-fluoro-3-methylphenyl)acetamide (PubChem CID 62812228) has the molecular formula C13H12ClFN2OS and a molecular weight of 298.77 g/mol. Its IUPAC name is 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(4-fluoro-3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(4-fluoro-3-methylphenyl)acetamide
PubChem CID62812228
Molecular FormulaC13H12ClFN2OS
Molecular Weight298.77 g/mol
Exact Mass298.03
IUPAC Name2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(4-fluoro-3-methylphenyl)acetamide
SMILESCc1cc(NC(=O)Cc2nc(CCl)cs2)ccc1F
InChIInChI=1S/C13H12ClFN2OS/c1-8-4-9(2-3-11(8)15)16-12(18)5-13-17-10(6-14)7-19-13/h2-4,7H,5-6H2,1H3,(H,16,18)
InChIKeyABXXTKRYLUSBTG-UHFFFAOYSA-N
XLogP3.51
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(4-chlorophenyl)acetamide
CID 43244296
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-(4-iodophenyl)acetamide
CID 43319978
2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(3,4-dimethoxyphenyl)acetamide
CID 43320057
2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(2,5-difluorophenyl)acetamide
CID 43320053
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-(4-methylsulfonylphenyl)acetamide
CID 43320120
N-(4-bromo-2-methylphenyl)-2-[4-(chloromethyl)-1,3-thiazol-2-yl]acetamide
CID 43320043
2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-methylacetamide
CID 16768117
N-(3-chloro-4-fluorophenyl)-2-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]acetamide
CID 110386789
2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(4-methoxy-2-methylphenyl)acetamide
CID 62872274
N-(2-bromo-5-fluorophenyl)-2-[4-(chloromethyl)-1,3-thiazol-2-yl]acetamide
CID 107629357

Frequently Asked Questions

What is the IUPAC name of 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(4-fluoro-3-methylphenyl)acetamide?
The IUPAC name of 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(4-fluoro-3-methylphenyl)acetamide (CID 62812228) is 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(4-fluoro-3-methylphenyl)acetamide.
What is the SMILES notation for 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(4-fluoro-3-methylphenyl)acetamide?
The canonical SMILES for 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(4-fluoro-3-methylphenyl)acetamide is Cc1cc(NC(=O)Cc2nc(CCl)cs2)ccc1F.
What is the InChIKey of 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(4-fluoro-3-methylphenyl)acetamide?
The InChIKey is ABXXTKRYLUSBTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFN2OS/c1-8-4-9(2-3-11(8)15)16-12(18)5-13-17-10(6-14)7-19-13/h2-4,7H,5-6H2,1H3,(H,16,18).
What are the key properties of 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(4-fluoro-3-methylphenyl)acetamide?
2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(4-fluoro-3-methylphenyl)acetamide has a molecular weight of 298.77 g/mol, XLogP of 3.51, 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-fluoro-3-methylphenyl)acetamide is sourced from PubChem (CID 62812228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).