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

C14H14N2O2S — CID 70690994

IUPACN-[5-(4-acetylphenyl)-4-methyl-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C)c(-c2ccc(C(C)=O)cc2)s1
InChIInChI=1S/C14H14N2O2S/c1-8-13(19-14(15-8)16-10(3)18)12-6-4-11(5-7-12)9(2)17/h4-7H,1-3H3,(H,15,16,18)
InChIKeyOZUSDWCWJBOURA-UHFFFAOYSA-N
MW274.35 g/mol
LogP3.28
Rot. Bonds3

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

N-[5-(4-acetylphenyl)-4-methyl-1,3-thiazol-2-yl]acetamide (PubChem CID 70690994) has the molecular formula C14H14N2O2S and a molecular weight of 274.35 g/mol. Its IUPAC name is N-[5-(4-acetylphenyl)-4-methyl-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-(4-acetylphenyl)-4-methyl-1,3-thiazol-2-yl]acetamide
PubChem CID70690994
Molecular FormulaC14H14N2O2S
Molecular Weight274.35 g/mol
Exact Mass274.08
IUPAC NameN-[5-(4-acetylphenyl)-4-methyl-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C)c(-c2ccc(C(C)=O)cc2)s1
InChIInChI=1S/C14H14N2O2S/c1-8-13(19-14(15-8)16-10(3)18)12-6-4-11(5-7-12)9(2)17/h4-7H,1-3H3,(H,15,16,18)
InChIKeyOZUSDWCWJBOURA-UHFFFAOYSA-N
XLogP3.28
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-(4-acetylphenyl)-4-methyl-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-(4-acetylphenyl)-4-methyl-1,3-thiazol-2-yl]acetamide (CID 70690994) is N-[5-(4-acetylphenyl)-4-methyl-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-(4-acetylphenyl)-4-methyl-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-(4-acetylphenyl)-4-methyl-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(C)c(-c2ccc(C(C)=O)cc2)s1.
What is the InChIKey of N-[5-(4-acetylphenyl)-4-methyl-1,3-thiazol-2-yl]acetamide?
The InChIKey is OZUSDWCWJBOURA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2S/c1-8-13(19-14(15-8)16-10(3)18)12-6-4-11(5-7-12)9(2)17/h4-7H,1-3H3,(H,15,16,18).
What are the key properties of N-[5-(4-acetylphenyl)-4-methyl-1,3-thiazol-2-yl]acetamide?
N-[5-(4-acetylphenyl)-4-methyl-1,3-thiazol-2-yl]acetamide has a molecular weight of 274.35 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-acetylphenyl)-4-methyl-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 70690994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).