N-[5-amino-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2,2-dimethylpropanamide

C15H19N3OS — CID 82342260

IUPACN-[5-amino-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
SMILESCc1ccc(-c2nc(NC(=O)C(C)(C)C)sc2N)cc1
InChIInChI=1S/C15H19N3OS/c1-9-5-7-10(8-6-9)11-12(16)20-14(17-11)18-13(19)15(2,3)4/h5-8H,16H2,1-4H3,(H,17,18,19)
InChIKeyOMHVKWAWXUZBNY-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.69
Rot. Bonds2

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

N-[5-amino-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2,2-dimethylpropanamide (PubChem CID 82342260) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is N-[5-amino-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[5-amino-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
PubChem CID82342260
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC NameN-[5-amino-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
SMILESCc1ccc(-c2nc(NC(=O)C(C)(C)C)sc2N)cc1
InChIInChI=1S/C15H19N3OS/c1-9-5-7-10(8-6-9)11-12(16)20-14(17-11)18-13(19)15(2,3)4/h5-8H,16H2,1-4H3,(H,17,18,19)
InChIKeyOMHVKWAWXUZBNY-UHFFFAOYSA-N
XLogP3.69
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-amino-4-phenyl-1,3-thiazol-2-yl)-2,2-dimethylpropanamide
CID 82342240
N-[5-amino-4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide
CID 82342305
2-cyano-2-methyl-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]propanamide
CID 60529474
2-amino-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-methylpropanamide
CID 119266982
N-[4-(2,5-dimethyl-1,3-thiazol-4-yl)phenyl]-2,2-dimethylpropanamide
CID 9356294
2-(2,2-dimethylpropanoylamino)-4-pyridin-4-yl-1,3-thiazole-5-carboxylic acid
CID 82226596
ethyl N-(5-amino-4-phenyl-1,3-thiazol-2-yl)carbamate
CID 58911903
N-[5-(4-aminophenyl)-1,3,4-thiadiazol-2-yl]-2,2-dimethylpropanamide
CID 82176853
N-[5-amino-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]propanamide
CID 82342293
2-bromo-4-(4-methylphenyl)-1,3-thiazol-5-amine
CID 84808579
N-[5-amino-4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 82342336
4-tert-butyl-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide
CID 1185902

Frequently Asked Questions

What is the IUPAC name of N-[5-amino-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[5-amino-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2,2-dimethylpropanamide (CID 82342260) is N-[5-amino-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[5-amino-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[5-amino-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2,2-dimethylpropanamide is Cc1ccc(-c2nc(NC(=O)C(C)(C)C)sc2N)cc1.
What is the InChIKey of N-[5-amino-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2,2-dimethylpropanamide?
The InChIKey is OMHVKWAWXUZBNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-9-5-7-10(8-6-9)11-12(16)20-14(17-11)18-13(19)15(2,3)4/h5-8H,16H2,1-4H3,(H,17,18,19).
What are the key properties of N-[5-amino-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2,2-dimethylpropanamide?
N-[5-amino-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2,2-dimethylpropanamide has a molecular weight of 289.40 g/mol, XLogP of 3.69, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-amino-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 82342260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).