1-(2,5-dimethylphenyl)-2-[methyl(1,3-thiazol-4-ylmethyl)amino]ethanone

C15H18N2OS — CID 62051055

IUPAC1-(2,5-dimethylphenyl)-2-[methyl(1,3-thiazol-4-ylmethyl)amino]ethanone
SMILESCc1ccc(C)c(C(=O)CN(C)Cc2cscn2)c1
InChIInChI=1S/C15H18N2OS/c1-11-4-5-12(2)14(6-11)15(18)8-17(3)7-13-9-19-10-16-13/h4-6,9-10H,7-8H2,1-3H3
InChIKeyRQIFBFFLKKHPOS-UHFFFAOYSA-N
MW274.39 g/mol
LogP3.07
Rot. Bonds5

About 1-(2,5-dimethylphenyl)-2-[methyl(1,3-thiazol-4-ylmethyl)amino]ethanone

1-(2,5-dimethylphenyl)-2-[methyl(1,3-thiazol-4-ylmethyl)amino]ethanone (PubChem CID 62051055) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-2-[methyl(1,3-thiazol-4-ylmethyl)amino]ethanone.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-2-[methyl(1,3-thiazol-4-ylmethyl)amino]ethanone
PubChem CID62051055
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC Name1-(2,5-dimethylphenyl)-2-[methyl(1,3-thiazol-4-ylmethyl)amino]ethanone
SMILESCc1ccc(C)c(C(=O)CN(C)Cc2cscn2)c1
InChIInChI=1S/C15H18N2OS/c1-11-4-5-12(2)14(6-11)15(18)8-17(3)7-13-9-19-10-16-13/h4-6,9-10H,7-8H2,1-3H3
InChIKeyRQIFBFFLKKHPOS-UHFFFAOYSA-N
XLogP3.07
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-fluorophenyl)-2-[methyl(1,3-thiazol-4-ylmethyl)amino]ethanone
CID 62052817
1-(3-fluorophenyl)-2-[methyl(1,3-thiazol-4-ylmethyl)amino]ethanone
CID 62052236
2-[[2-(2,5-dimethylphenyl)-2-oxoethyl]-methylamino]acetic acid
CID 82476152
3-methyl-1-[methyl(1,3-thiazol-4-ylmethyl)amino]butan-2-one
CID 79395276
1-(1-benzofuran-2-yl)-2-[methyl(1,3-thiazol-4-ylmethyl)amino]ethanone
CID 62051653
5-[methyl(1,3-thiazol-4-ylmethyl)amino]pentan-1-ol
CID 62228232
N-(4-aminophenyl)-2-[methyl(1,3-thiazol-4-ylmethyl)amino]acetamide
CID 55013341
4-fluoro-N,3-dimethyl-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 55163854
1-(4,6-dimethyl-2-pyridinyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)methanamine
CID 91833133
4-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]benzoic acid
CID 54885489
1-(2,5-dimethylphenyl)-2-[methyl(2-methylbutan-2-yl)amino]ethanone
CID 63964640
N,N'-dimethyl-2-methylidene-N'-(1,3-thiazol-4-ylmethyl)propane-1,3-diamine
CID 103070150

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-2-[methyl(1,3-thiazol-4-ylmethyl)amino]ethanone?
The IUPAC name of 1-(2,5-dimethylphenyl)-2-[methyl(1,3-thiazol-4-ylmethyl)amino]ethanone (CID 62051055) is 1-(2,5-dimethylphenyl)-2-[methyl(1,3-thiazol-4-ylmethyl)amino]ethanone.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-2-[methyl(1,3-thiazol-4-ylmethyl)amino]ethanone?
The canonical SMILES for 1-(2,5-dimethylphenyl)-2-[methyl(1,3-thiazol-4-ylmethyl)amino]ethanone is Cc1ccc(C)c(C(=O)CN(C)Cc2cscn2)c1.
What is the InChIKey of 1-(2,5-dimethylphenyl)-2-[methyl(1,3-thiazol-4-ylmethyl)amino]ethanone?
The InChIKey is RQIFBFFLKKHPOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-11-4-5-12(2)14(6-11)15(18)8-17(3)7-13-9-19-10-16-13/h4-6,9-10H,7-8H2,1-3H3.
What are the key properties of 1-(2,5-dimethylphenyl)-2-[methyl(1,3-thiazol-4-ylmethyl)amino]ethanone?
1-(2,5-dimethylphenyl)-2-[methyl(1,3-thiazol-4-ylmethyl)amino]ethanone has a molecular weight of 274.39 g/mol, XLogP of 3.07, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-2-[methyl(1,3-thiazol-4-ylmethyl)amino]ethanone is sourced from PubChem (CID 62051055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).