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

C14H16N2OS — CID 2673045

IUPAC2-(3,4-dimethylphenyl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1cnc(NC(=O)Cc2ccc(C)c(C)c2)s1
InChIInChI=1S/C14H16N2OS/c1-9-4-5-12(6-10(9)2)7-13(17)16-14-15-8-11(3)18-14/h4-6,8H,7H2,1-3H3,(H,15,16,17)
InChIKeyKLXUKLYHPBIMHM-UHFFFAOYSA-N
MW260.36 g/mol
LogP3.25
Rot. Bonds3

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

2-(3,4-dimethylphenyl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide (PubChem CID 2673045) has the molecular formula C14H16N2OS and a molecular weight of 260.36 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide
PubChem CID2673045
Molecular FormulaC14H16N2OS
Molecular Weight260.36 g/mol
Exact Mass260.10
IUPAC Name2-(3,4-dimethylphenyl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1cnc(NC(=O)Cc2ccc(C)c(C)c2)s1
InChIInChI=1S/C14H16N2OS/c1-9-4-5-12(6-10(9)2)7-13(17)16-14-15-8-11(3)18-14/h4-6,8H,7H2,1-3H3,(H,15,16,17)
InChIKeyKLXUKLYHPBIMHM-UHFFFAOYSA-N
XLogP3.25
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(3,4-dimethylphenyl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide (CID 2673045) is 2-(3,4-dimethylphenyl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(3,4-dimethylphenyl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(3,4-dimethylphenyl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide is Cc1cnc(NC(=O)Cc2ccc(C)c(C)c2)s1.
What is the InChIKey of 2-(3,4-dimethylphenyl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is KLXUKLYHPBIMHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS/c1-9-4-5-12(6-10(9)2)7-13(17)16-14-15-8-11(3)18-14/h4-6,8H,7H2,1-3H3,(H,15,16,17).
What are the key properties of 2-(3,4-dimethylphenyl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide?
2-(3,4-dimethylphenyl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 260.36 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 2673045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).