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

C12H12N2OS — CID 1079159

IUPAC2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
SMILESCc1ccc(-c2csc(CC(N)=O)n2)cc1
InChIInChI=1S/C12H12N2OS/c1-8-2-4-9(5-3-8)10-7-16-12(14-10)6-11(13)15/h2-5,7H,6H2,1H3,(H2,13,15)
InChIKeyJDEGGWYONJJVEJ-UHFFFAOYSA-N
MW232.31 g/mol
LogP2.15
Rot. Bonds3

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

2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 1079159) has the molecular formula C12H12N2OS and a molecular weight of 232.31 g/mol. Its IUPAC name is 2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
PubChem CID1079159
Molecular FormulaC12H12N2OS
Molecular Weight232.31 g/mol
Exact Mass232.07
IUPAC Name2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
SMILESCc1ccc(-c2csc(CC(N)=O)n2)cc1
InChIInChI=1S/C12H12N2OS/c1-8-2-4-9(5-3-8)10-7-16-12(14-10)6-11(13)15/h2-5,7H,6H2,1H3,(H2,13,15)
InChIKeyJDEGGWYONJJVEJ-UHFFFAOYSA-N
XLogP2.15
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.31
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide (CID 1079159) is 2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide is Cc1ccc(-c2csc(CC(N)=O)n2)cc1.
What is the InChIKey of 2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is JDEGGWYONJJVEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2OS/c1-8-2-4-9(5-3-8)10-7-16-12(14-10)6-11(13)15/h2-5,7H,6H2,1H3,(H2,13,15).
What are the key properties of 2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide?
2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 232.31 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 1079159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).