1-[3-[[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]amino]phenyl]ethanone

C19H18N2OS — CID 53338461

IUPAC1-[3-[[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]amino]phenyl]ethanone
SMILESCC(=O)c1cccc(Nc2nc(-c3ccc(C)cc3C)cs2)c1
InChIInChI=1S/C19H18N2OS/c1-12-7-8-17(13(2)9-12)18-11-23-19(21-18)20-16-6-4-5-15(10-16)14(3)22/h4-11H,1-3H3,(H,20,21)
InChIKeyLSTLXBFBVWUDBN-UHFFFAOYSA-N
MW322.43 g/mol
LogP5.37
Rot. Bonds4

About 1-[3-[[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]amino]phenyl]ethanone

1-[3-[[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]amino]phenyl]ethanone (PubChem CID 53338461) has the molecular formula C19H18N2OS and a molecular weight of 322.43 g/mol. Its IUPAC name is 1-[3-[[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]amino]phenyl]ethanone.

Molecular Properties

Compound Name1-[3-[[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]amino]phenyl]ethanone
PubChem CID53338461
Molecular FormulaC19H18N2OS
Molecular Weight322.43 g/mol
Exact Mass322.11
IUPAC Name1-[3-[[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]amino]phenyl]ethanone
SMILESCC(=O)c1cccc(Nc2nc(-c3ccc(C)cc3C)cs2)c1
InChIInChI=1S/C19H18N2OS/c1-12-7-8-17(13(2)9-12)18-11-23-19(21-18)20-16-6-4-5-15(10-16)14(3)22/h4-11H,1-3H3,(H,20,21)
InChIKeyLSTLXBFBVWUDBN-UHFFFAOYSA-N
XLogP5.37
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.43
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]amino]benzoic acid;hydrochloride
CID 2870199
methyl 3-[[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]amino]benzoate
CID 84565448
1-[3-[[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]amino]phenyl]ethanone
CID 1075902
1-[3-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]amino]phenyl]ethanone
CID 53338292
1-[3-[[4-(3-bromophenyl)-1,3-thiazol-2-yl]amino]phenyl]ethanone
CID 53338346
4-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]benzene-1,4-diamine
CID 82059186
4-(2-fluoro-5-methylphenyl)-N-(3-methylphenyl)-1,3-thiazol-2-amine
CID 71396303
4-(2,4-dimethylphenyl)-N-methyl-1,3-thiazol-2-amine
CID 17465165
2,6-dichloro-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]benzamide
CID 4517277
N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-methylpropanamide
CID 3627689
3-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]benzamide
CID 142684609
N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 25259755

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]amino]phenyl]ethanone?
The IUPAC name of 1-[3-[[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]amino]phenyl]ethanone (CID 53338461) is 1-[3-[[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]amino]phenyl]ethanone.
What is the SMILES notation for 1-[3-[[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]amino]phenyl]ethanone?
The canonical SMILES for 1-[3-[[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]amino]phenyl]ethanone is CC(=O)c1cccc(Nc2nc(-c3ccc(C)cc3C)cs2)c1.
What is the InChIKey of 1-[3-[[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]amino]phenyl]ethanone?
The InChIKey is LSTLXBFBVWUDBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2OS/c1-12-7-8-17(13(2)9-12)18-11-23-19(21-18)20-16-6-4-5-15(10-16)14(3)22/h4-11H,1-3H3,(H,20,21).
What are the key properties of 1-[3-[[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]amino]phenyl]ethanone?
1-[3-[[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]amino]phenyl]ethanone has a molecular weight of 322.43 g/mol, XLogP of 5.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]amino]phenyl]ethanone is sourced from PubChem (CID 53338461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).