N-(2,3-dimethylphenyl)-2-[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]acetamide

C20H19FN2OS — CID 8714276

IUPACN-(2,3-dimethylphenyl)-2-[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]acetamide
SMILESCc1nc(-c2ccc(F)cc2)c(CC(=O)Nc2cccc(C)c2C)s1
InChIInChI=1S/C20H19FN2OS/c1-12-5-4-6-17(13(12)2)23-19(24)11-18-20(22-14(3)25-18)15-7-9-16(21)10-8-15/h4-10H,11H2,1-3H3,(H,23,24)
InChIKeyWFCDVZZOVBDFQS-UHFFFAOYSA-N
MW354.45 g/mol
LogP5.06
Rot. Bonds4

About N-(2,3-dimethylphenyl)-2-[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]acetamide

N-(2,3-dimethylphenyl)-2-[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]acetamide (PubChem CID 8714276) has the molecular formula C20H19FN2OS and a molecular weight of 354.45 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-2-[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]acetamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-2-[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]acetamide
PubChem CID8714276
Molecular FormulaC20H19FN2OS
Molecular Weight354.45 g/mol
Exact Mass354.12
IUPAC NameN-(2,3-dimethylphenyl)-2-[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]acetamide
SMILESCc1nc(-c2ccc(F)cc2)c(CC(=O)Nc2cccc(C)c2C)s1
InChIInChI=1S/C20H19FN2OS/c1-12-5-4-6-17(13(12)2)23-19(24)11-18-20(22-14(3)25-18)15-7-9-16(21)10-8-15/h4-10H,11H2,1-3H3,(H,23,24)
InChIKeyWFCDVZZOVBDFQS-UHFFFAOYSA-N
XLogP5.06
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.45
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-fluorophenyl)-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide
CID 26915494
N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-2-[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]acetamide
CID 16564298
N-(2-fluoro-5-methylphenyl)-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide
CID 26881825
N-(4-fluoro-2-methoxyphenyl)-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide
CID 33283008
N-(2-ethoxyphenyl)-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide
CID 26736248
N-(2,3-dimethylphenyl)-2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 18575552
N-(3-fluoro-4-methylphenyl)-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide
CID 26415642
N-(4-fluorophenyl)sulfonyl-2-(2-methyl-4-phenyl-1,3-thiazol-5-yl)acetamide
CID 11682564
N-(3-chloro-2-methylphenyl)-2-(2-methyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide
CID 20995847
N-(3-ethylphenyl)-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide
CID 26736483
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]acetamide
CID 43010055
2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-N-(3-nitrophenyl)acetamide
CID 26574704

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-2-[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]acetamide?
The IUPAC name of N-(2,3-dimethylphenyl)-2-[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]acetamide (CID 8714276) is N-(2,3-dimethylphenyl)-2-[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]acetamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-2-[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]acetamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-2-[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]acetamide is Cc1nc(-c2ccc(F)cc2)c(CC(=O)Nc2cccc(C)c2C)s1.
What is the InChIKey of N-(2,3-dimethylphenyl)-2-[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]acetamide?
The InChIKey is WFCDVZZOVBDFQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2OS/c1-12-5-4-6-17(13(12)2)23-19(24)11-18-20(22-14(3)25-18)15-7-9-16(21)10-8-15/h4-10H,11H2,1-3H3,(H,23,24).
What are the key properties of N-(2,3-dimethylphenyl)-2-[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]acetamide?
N-(2,3-dimethylphenyl)-2-[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]acetamide has a molecular weight of 354.45 g/mol, XLogP of 5.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-2-[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]acetamide is sourced from PubChem (CID 8714276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).