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

C13H15N3OS — CID 58442517

IUPACN-[4-(2-amino-1,3-thiazol-4-yl)-3,5-dimethylphenyl]acetamide
SMILESCC(=O)Nc1cc(C)c(-c2csc(N)n2)c(C)c1
InChIInChI=1S/C13H15N3OS/c1-7-4-10(15-9(3)17)5-8(2)12(7)11-6-18-13(14)16-11/h4-6H,1-3H3,(H2,14,16)(H,15,17)
InChIKeyYVNLUFJWLIXABT-UHFFFAOYSA-N
MW261.35 g/mol
LogP2.97
Rot. Bonds2

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

N-[4-(2-amino-1,3-thiazol-4-yl)-3,5-dimethylphenyl]acetamide (PubChem CID 58442517) has the molecular formula C13H15N3OS and a molecular weight of 261.35 g/mol. Its IUPAC name is N-[4-(2-amino-1,3-thiazol-4-yl)-3,5-dimethylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-(2-amino-1,3-thiazol-4-yl)-3,5-dimethylphenyl]acetamide
PubChem CID58442517
Molecular FormulaC13H15N3OS
Molecular Weight261.35 g/mol
Exact Mass261.09
IUPAC NameN-[4-(2-amino-1,3-thiazol-4-yl)-3,5-dimethylphenyl]acetamide
SMILESCC(=O)Nc1cc(C)c(-c2csc(N)n2)c(C)c1
InChIInChI=1S/C13H15N3OS/c1-7-4-10(15-9(3)17)5-8(2)12(7)11-6-18-13(14)16-11/h4-6H,1-3H3,(H2,14,16)(H,15,17)
InChIKeyYVNLUFJWLIXABT-UHFFFAOYSA-N
XLogP2.97
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-ethyl-2,6-dimethylphenyl)-1,3-thiazol-2-amine
CID 58442374
4-(2,6-dimethyl-4-phenylphenyl)-1,3-thiazol-2-amine
CID 161234714
4-[4-(3,5-dimethylphenoxy)-2,6-dimethylphenyl]-1,3-thiazol-2-amine
CID 159452230
4-acetamido-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]benzamide;molecular hydrogen
CID 144822338
N-[[5-(2-amino-1,3-thiazol-4-yl)-3-methylfuran-2-yl]methyl]acetamide
CID 22413713
2-amino-N-(4-fluoro-3-methylphenyl)-1,3-thiazole-4-carboxamide
CID 55119460
4-[4-(3-methoxypropoxy)-2,6-dimethylphenyl]-1,3-thiazol-2-amine
CID 58442382
3-(2-amino-1,3-thiazol-4-yl)-4,6-dimethyl-1-propan-2-ylpyridin-2-one
CID 82526108
N-[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]acetamide
CID 39038759
1-[4-(2,3,5,6-tetramethylphenyl)-1,3-thiazol-2-yl]ethanone
CID 82301242
2-bromo-1-[4-(3,5-dimethylphenoxy)-2,6-dimethylphenyl]ethanone;4-[4-(3,5-dimethylphenoxy)-2,6-dimethylphenyl]-1,3-thiazol-2-amine;ethanol
CID 162014263
N-(3,5-diacetamidophenyl)acetamide
CID 12731559

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-amino-1,3-thiazol-4-yl)-3,5-dimethylphenyl]acetamide?
The IUPAC name of N-[4-(2-amino-1,3-thiazol-4-yl)-3,5-dimethylphenyl]acetamide (CID 58442517) is N-[4-(2-amino-1,3-thiazol-4-yl)-3,5-dimethylphenyl]acetamide.
What is the SMILES notation for N-[4-(2-amino-1,3-thiazol-4-yl)-3,5-dimethylphenyl]acetamide?
The canonical SMILES for N-[4-(2-amino-1,3-thiazol-4-yl)-3,5-dimethylphenyl]acetamide is CC(=O)Nc1cc(C)c(-c2csc(N)n2)c(C)c1.
What is the InChIKey of N-[4-(2-amino-1,3-thiazol-4-yl)-3,5-dimethylphenyl]acetamide?
The InChIKey is YVNLUFJWLIXABT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS/c1-7-4-10(15-9(3)17)5-8(2)12(7)11-6-18-13(14)16-11/h4-6H,1-3H3,(H2,14,16)(H,15,17).
What are the key properties of N-[4-(2-amino-1,3-thiazol-4-yl)-3,5-dimethylphenyl]acetamide?
N-[4-(2-amino-1,3-thiazol-4-yl)-3,5-dimethylphenyl]acetamide has a molecular weight of 261.35 g/mol, XLogP of 2.97, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-amino-1,3-thiazol-4-yl)-3,5-dimethylphenyl]acetamide is sourced from PubChem (CID 58442517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).