N-(3-acetylphenyl)-2-(2-amino-4-oxo-1,3-thiazol-5-yl)acetamide

C13H13N3O3S — CID 11963472

IUPACN-(3-acetylphenyl)-2-(2-amino-4-oxo-1,3-thiazol-5-yl)acetamide
SMILESCC(=O)c1cccc(NC(=O)CC2SC(N)=NC2=O)c1
InChIInChI=1S/C13H13N3O3S/c1-7(17)8-3-2-4-9(5-8)15-11(18)6-10-12(19)16-13(14)20-10/h2-5,10H,6H2,1H3,(H,15,18)(H2,14,16,19)
InChIKeyITNDSMYZXQXMGH-UHFFFAOYSA-N
MW291.33 g/mol
LogP1.17
Rot. Bonds4

About N-(3-acetylphenyl)-2-(2-amino-4-oxo-1,3-thiazol-5-yl)acetamide

N-(3-acetylphenyl)-2-(2-amino-4-oxo-1,3-thiazol-5-yl)acetamide (PubChem CID 11963472) has the molecular formula C13H13N3O3S and a molecular weight of 291.33 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-(2-amino-4-oxo-1,3-thiazol-5-yl)acetamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-(2-amino-4-oxo-1,3-thiazol-5-yl)acetamide
PubChem CID11963472
Molecular FormulaC13H13N3O3S
Molecular Weight291.33 g/mol
Exact Mass291.07
IUPAC NameN-(3-acetylphenyl)-2-(2-amino-4-oxo-1,3-thiazol-5-yl)acetamide
SMILESCC(=O)c1cccc(NC(=O)CC2SC(N)=NC2=O)c1
InChIInChI=1S/C13H13N3O3S/c1-7(17)8-3-2-4-9(5-8)15-11(18)6-10-12(19)16-13(14)20-10/h2-5,10H,6H2,1H3,(H,15,18)(H2,14,16,19)
InChIKeyITNDSMYZXQXMGH-UHFFFAOYSA-N
XLogP1.17
TPSA101.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-amino-4-oxo-1,3-thiazol-5-yl)-N-[4-[[2-(2-amino-4-oxo-1,3-thiazol-5-yl)acetyl]amino]phenyl]acetamide
CID 3936820
2-(2-amino-4-oxo-1,3-thiazol-5-yl)-N-(3-cyanophenyl)acetamide
CID 11963349
2-[(5S)-2-amino-4-oxo-1,3-thiazol-5-yl]-N-(4-hydroxyphenyl)acetamide
CID 7164202
[4-[[2-[(5S)-2-amino-4-oxo-1,3-thiazol-5-yl]acetyl]amino]phenyl] acetate
CID 1350500
2-(2-amino-4-oxo-1,3-thiazol-5-yl)-N-(1,3-benzodioxol-5-yl)acetamide
CID 2897686
2-[(5S)-2-amino-4-oxo-1,3-thiazol-5-yl]-N-(2-chlorophenyl)acetamide
CID 7158134
3-[[2-[(5S)-2-(diethylamino)-4-oxo-1,3-thiazol-5-yl]acetyl]amino]-N-[4-(diethylamino)phenyl]benzamide
CID 27229194
2-(2-amino-4-oxo-1,3-thiazol-5-yl)-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 11963393
N-[3-(azocane-1-carbonyl)phenyl]-2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetamide
CID 55374570
3-[[2-[2-(diethylamino)-4-oxo-1,3-thiazol-5-yl]acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide
CID 4792172
3-[[2-[2-(diethylamino)-4-oxo-1,3-thiazol-5-yl]acetyl]amino]-N-(5-methyl-2-pyridinyl)benzamide
CID 45354424
N-(3-acetylphenyl)propanamide
CID 903063

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-(2-amino-4-oxo-1,3-thiazol-5-yl)acetamide?
The IUPAC name of N-(3-acetylphenyl)-2-(2-amino-4-oxo-1,3-thiazol-5-yl)acetamide (CID 11963472) is N-(3-acetylphenyl)-2-(2-amino-4-oxo-1,3-thiazol-5-yl)acetamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-(2-amino-4-oxo-1,3-thiazol-5-yl)acetamide?
The canonical SMILES for N-(3-acetylphenyl)-2-(2-amino-4-oxo-1,3-thiazol-5-yl)acetamide is CC(=O)c1cccc(NC(=O)CC2SC(N)=NC2=O)c1.
What is the InChIKey of N-(3-acetylphenyl)-2-(2-amino-4-oxo-1,3-thiazol-5-yl)acetamide?
The InChIKey is ITNDSMYZXQXMGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3S/c1-7(17)8-3-2-4-9(5-8)15-11(18)6-10-12(19)16-13(14)20-10/h2-5,10H,6H2,1H3,(H,15,18)(H2,14,16,19).
What are the key properties of N-(3-acetylphenyl)-2-(2-amino-4-oxo-1,3-thiazol-5-yl)acetamide?
N-(3-acetylphenyl)-2-(2-amino-4-oxo-1,3-thiazol-5-yl)acetamide has a molecular weight of 291.33 g/mol, XLogP of 1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-(2-amino-4-oxo-1,3-thiazol-5-yl)acetamide is sourced from PubChem (CID 11963472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).