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

C14H15N3O2S — CID 79375479

IUPACN-[4-[(4-acetyl-3-methyl-1,2-thiazol-5-yl)amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Nc2snc(C)c2C(C)=O)cc1
InChIInChI=1S/C14H15N3O2S/c1-8-13(9(2)18)14(20-17-8)16-12-6-4-11(5-7-12)15-10(3)19/h4-7,16H,1-3H3,(H,15,19)
InChIKeyVMDSDCCRPAVUOR-UHFFFAOYSA-N
MW289.36 g/mol
LogP3.36
Rot. Bonds4

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

N-[4-[(4-acetyl-3-methyl-1,2-thiazol-5-yl)amino]phenyl]acetamide (PubChem CID 79375479) has the molecular formula C14H15N3O2S and a molecular weight of 289.36 g/mol. Its IUPAC name is N-[4-[(4-acetyl-3-methyl-1,2-thiazol-5-yl)amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(4-acetyl-3-methyl-1,2-thiazol-5-yl)amino]phenyl]acetamide
PubChem CID79375479
Molecular FormulaC14H15N3O2S
Molecular Weight289.36 g/mol
Exact Mass289.09
IUPAC NameN-[4-[(4-acetyl-3-methyl-1,2-thiazol-5-yl)amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Nc2snc(C)c2C(C)=O)cc1
InChIInChI=1S/C14H15N3O2S/c1-8-13(9(2)18)14(20-17-8)16-12-6-4-11(5-7-12)15-10(3)19/h4-7,16H,1-3H3,(H,15,19)
InChIKeyVMDSDCCRPAVUOR-UHFFFAOYSA-N
XLogP3.36
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-[(4-acetyl-3-methyl-1,2-thiazol-5-yl)amino]phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[5-(4-iodoanilino)-3-methyl-1,2-thiazol-4-yl]ethanone
CID 79375577
1-[5-(4-ethylanilino)-3-methyl-1,2-thiazol-4-yl]ethanone
CID 79375648
1-[5-(3,5-difluoroanilino)-3-methyl-1,2-thiazol-4-yl]ethanone
CID 79375410
1-[3-methyl-5-[4-methyl-3-(trifluoromethyl)anilino]-1,2-thiazol-4-yl]ethanone
CID 79371636
3-methyl-5-(4-methylanilino)-1,2-thiazole-4-carboxylic acid
CID 79402442
1-[3-methyl-5-(3-methylsulfanylanilino)-1,2-thiazol-4-yl]ethanone
CID 79375148
3-methyl-5-(4-propan-2-ylanilino)-1,2-thiazole-4-carboxylic acid
CID 79402756
1-[3-methyl-5-[(1-propan-2-ylpyrazol-4-yl)amino]-1,2-thiazol-4-yl]ethanone
CID 79363948
1-[5-(2,4-dichloroanilino)-3-methyl-1,2-thiazol-4-yl]ethanone
CID 79376164
1-[5-(5-chloro-2-fluoroanilino)-3-methyl-1,2-thiazol-4-yl]ethanone
CID 79375825
1-[5-[2-(dimethylamino)anilino]-3-methyl-1,2-thiazol-4-yl]ethanone
CID 106760958
[(2S)-1-(4-acetamidophenyl)-1-oxopropan-2-yl] 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate
CID 40856299

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-acetyl-3-methyl-1,2-thiazol-5-yl)amino]phenyl]acetamide?
The IUPAC name of N-[4-[(4-acetyl-3-methyl-1,2-thiazol-5-yl)amino]phenyl]acetamide (CID 79375479) is N-[4-[(4-acetyl-3-methyl-1,2-thiazol-5-yl)amino]phenyl]acetamide.
What is the SMILES notation for N-[4-[(4-acetyl-3-methyl-1,2-thiazol-5-yl)amino]phenyl]acetamide?
The canonical SMILES for N-[4-[(4-acetyl-3-methyl-1,2-thiazol-5-yl)amino]phenyl]acetamide is CC(=O)Nc1ccc(Nc2snc(C)c2C(C)=O)cc1.
What is the InChIKey of N-[4-[(4-acetyl-3-methyl-1,2-thiazol-5-yl)amino]phenyl]acetamide?
The InChIKey is VMDSDCCRPAVUOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2S/c1-8-13(9(2)18)14(20-17-8)16-12-6-4-11(5-7-12)15-10(3)19/h4-7,16H,1-3H3,(H,15,19).
What are the key properties of N-[4-[(4-acetyl-3-methyl-1,2-thiazol-5-yl)amino]phenyl]acetamide?
N-[4-[(4-acetyl-3-methyl-1,2-thiazol-5-yl)amino]phenyl]acetamide has a molecular weight of 289.36 g/mol, XLogP of 3.36, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-acetyl-3-methyl-1,2-thiazol-5-yl)amino]phenyl]acetamide is sourced from PubChem (CID 79375479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).