N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-methylpropanamide

C15H18N2OS — CID 3627689

IUPACN-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-methylpropanamide
SMILESCc1ccc(-c2csc(NC(=O)C(C)C)n2)c(C)c1
InChIInChI=1S/C15H18N2OS/c1-9(2)14(18)17-15-16-13(8-19-15)12-6-5-10(3)7-11(12)4/h5-9H,1-4H3,(H,16,17,18)
InChIKeyGQJLIJKUCKLVDP-UHFFFAOYSA-N
MW274.39 g/mol
LogP4.02
Rot. Bonds3

About N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-methylpropanamide

N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-methylpropanamide (PubChem CID 3627689) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-methylpropanamide
PubChem CID3627689
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC NameN-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-methylpropanamide
SMILESCc1ccc(-c2csc(NC(=O)C(C)C)n2)c(C)c1
InChIInChI=1S/C15H18N2OS/c1-9(2)14(18)17-15-16-13(8-19-15)12-6-5-10(3)7-11(12)4/h5-9H,1-4H3,(H,16,17,18)
InChIKeyGQJLIJKUCKLVDP-UHFFFAOYSA-N
XLogP4.02
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]cyclopropane-1-carboxamide
CID 119685811
N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-(2-fluorophenyl)acetamide
CID 8753150
2-amino-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-4-methylsulfonylbutanamide;hydrochloride
CID 119956001
trans-(1S,2S)-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-methylcyclopropane-1-carboxamide
CID 40820828
trans-(1R,2R)-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-methylcyclopropane-1-carboxamide
CID 40820829
N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 25259755
2-(2-cyanophenoxy)-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]propanamide
CID 46597025
4-(2,4-dimethylphenyl)-N-methyl-1,3-thiazol-2-amine
CID 17465165
4-(2,4-dimethylphenyl)-N-(2-methylpropyl)-1,3-thiazol-2-amine
CID 55027261
2,6-dichloro-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]benzamide
CID 4517277
(1R,6R)-6-[[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 1294705
N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-6-oxo-1H-pyridazine-3-carboxamide
CID 35875919

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-methylpropanamide?
The IUPAC name of N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-methylpropanamide (CID 3627689) is N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-methylpropanamide.
What is the SMILES notation for N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-methylpropanamide?
The canonical SMILES for N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-methylpropanamide is Cc1ccc(-c2csc(NC(=O)C(C)C)n2)c(C)c1.
What is the InChIKey of N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-methylpropanamide?
The InChIKey is GQJLIJKUCKLVDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-9(2)14(18)17-15-16-13(8-19-15)12-6-5-10(3)7-11(12)4/h5-9H,1-4H3,(H,16,17,18).
What are the key properties of N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-methylpropanamide?
N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-methylpropanamide has a molecular weight of 274.39 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-methylpropanamide is sourced from PubChem (CID 3627689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).