N-(2-fluoro-4-methylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide

C13H13FN2OS — CID 35595769

IUPACN-(2-fluoro-4-methylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
SMILESCc1ccc(NC(=O)Cc2csc(C)n2)c(F)c1
InChIInChI=1S/C13H13FN2OS/c1-8-3-4-12(11(14)5-8)16-13(17)6-10-7-18-9(2)15-10/h3-5,7H,6H2,1-2H3,(H,16,17)
InChIKeyLQMFNAIRYNCYBL-UHFFFAOYSA-N
MW264.32 g/mol
LogP3.08
Rot. Bonds3

About N-(2-fluoro-4-methylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide

N-(2-fluoro-4-methylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide (PubChem CID 35595769) has the molecular formula C13H13FN2OS and a molecular weight of 264.32 g/mol. Its IUPAC name is N-(2-fluoro-4-methylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(2-fluoro-4-methylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
PubChem CID35595769
Molecular FormulaC13H13FN2OS
Molecular Weight264.32 g/mol
Exact Mass264.07
IUPAC NameN-(2-fluoro-4-methylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
SMILESCc1ccc(NC(=O)Cc2csc(C)n2)c(F)c1
InChIInChI=1S/C13H13FN2OS/c1-8-3-4-12(11(14)5-8)16-13(17)6-10-7-18-9(2)15-10/h3-5,7H,6H2,1-2H3,(H,16,17)
InChIKeyLQMFNAIRYNCYBL-UHFFFAOYSA-N
XLogP3.08
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chloro-2-fluorophenyl)-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 8777429
1-(2-fluoro-4-methylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 114979454
2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-(2-fluoro-4-methylphenyl)acetamide
CID 16591781
N-(2,6-difluorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 110463255
2-fluoro-6-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]benzoic acid
CID 43442748
N-(3-chloro-2-fluorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 31507606
N-(2-ethylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 9123420
N-[5-chloro-2-(4-fluorophenyl)sulfanylphenyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 4852253
N-(2-methoxyphenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 29453114
N-(2-fluoro-4-methylphenyl)propanamide
CID 60628124
2-(2-methyl-1,3-thiazol-4-yl)-N-(2-phenylphenyl)acetamide
CID 29454554
N-(2,4-dimethylphenyl)-2-[2-(ethylamino)-1,3-thiazol-4-yl]acetamide
CID 18525097

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-4-methylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-(2-fluoro-4-methylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide (CID 35595769) is N-(2-fluoro-4-methylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-(2-fluoro-4-methylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-(2-fluoro-4-methylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide is Cc1ccc(NC(=O)Cc2csc(C)n2)c(F)c1.
What is the InChIKey of N-(2-fluoro-4-methylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The InChIKey is LQMFNAIRYNCYBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2OS/c1-8-3-4-12(11(14)5-8)16-13(17)6-10-7-18-9(2)15-10/h3-5,7H,6H2,1-2H3,(H,16,17).
What are the key properties of N-(2-fluoro-4-methylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
N-(2-fluoro-4-methylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide has a molecular weight of 264.32 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-4-methylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 35595769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).