N-(2,5-dimethylphenyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide

C19H18N2OS — CID 2566241

IUPACN-(2,5-dimethylphenyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
SMILESCc1ccc(C)c(NC(=O)Cc2csc(-c3ccccc3)n2)c1
InChIInChI=1S/C19H18N2OS/c1-13-8-9-14(2)17(10-13)21-18(22)11-16-12-23-19(20-16)15-6-4-3-5-7-15/h3-10,12H,11H2,1-2H3,(H,21,22)
InChIKeyCHYYBKJKRXVTDW-UHFFFAOYSA-N
MW322.43 g/mol
LogP4.61
Rot. Bonds4

About N-(2,5-dimethylphenyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide

N-(2,5-dimethylphenyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide (PubChem CID 2566241) has the molecular formula C19H18N2OS and a molecular weight of 322.43 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
PubChem CID2566241
Molecular FormulaC19H18N2OS
Molecular Weight322.43 g/mol
Exact Mass322.11
IUPAC NameN-(2,5-dimethylphenyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
SMILESCc1ccc(C)c(NC(=O)Cc2csc(-c3ccccc3)n2)c1
InChIInChI=1S/C19H18N2OS/c1-13-8-9-14(2)17(10-13)21-18(22)11-16-12-23-19(20-16)15-6-4-3-5-7-15/h3-10,12H,11H2,1-2H3,(H,21,22)
InChIKeyCHYYBKJKRXVTDW-UHFFFAOYSA-N
XLogP4.61
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-(2,5-dimethylphenyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide (CID 2566241) is N-(2,5-dimethylphenyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide is Cc1ccc(C)c(NC(=O)Cc2csc(-c3ccccc3)n2)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide?
The InChIKey is CHYYBKJKRXVTDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2OS/c1-13-8-9-14(2)17(10-13)21-18(22)11-16-12-23-19(20-16)15-6-4-3-5-7-15/h3-10,12H,11H2,1-2H3,(H,21,22).
What are the key properties of N-(2,5-dimethylphenyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide?
N-(2,5-dimethylphenyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide has a molecular weight of 322.43 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 2566241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).