2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-1-(2,4,6-trimethylphenyl)ethanone

C17H22N2OS — CID 62051275

IUPAC2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-1-(2,4,6-trimethylphenyl)ethanone
SMILESCc1cc(C)c(C(=O)CN(C)Cc2csc(C)n2)c(C)c1
InChIInChI=1S/C17H22N2OS/c1-11-6-12(2)17(13(3)7-11)16(20)9-19(5)8-15-10-21-14(4)18-15/h6-7,10H,8-9H2,1-5H3
InChIKeyJKHSSBKQJGNZCI-UHFFFAOYSA-N
MW302.44 g/mol
LogP3.69
Rot. Bonds5

About 2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-1-(2,4,6-trimethylphenyl)ethanone

2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-1-(2,4,6-trimethylphenyl)ethanone (PubChem CID 62051275) has the molecular formula C17H22N2OS and a molecular weight of 302.44 g/mol. Its IUPAC name is 2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-1-(2,4,6-trimethylphenyl)ethanone.

Molecular Properties

Compound Name2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-1-(2,4,6-trimethylphenyl)ethanone
PubChem CID62051275
Molecular FormulaC17H22N2OS
Molecular Weight302.44 g/mol
Exact Mass302.15
IUPAC Name2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-1-(2,4,6-trimethylphenyl)ethanone
SMILESCc1cc(C)c(C(=O)CN(C)Cc2csc(C)n2)c(C)c1
InChIInChI=1S/C17H22N2OS/c1-11-6-12(2)17(13(3)7-11)16(20)9-19(5)8-15-10-21-14(4)18-15/h6-7,10H,8-9H2,1-5H3
InChIKeyJKHSSBKQJGNZCI-UHFFFAOYSA-N
XLogP3.69
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-bromothiophen-2-yl)methyl-methylamino]-1-(2,4,6-trimethylphenyl)ethanone
CID 63566486
1-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]pentan-2-one
CID 62044439
1-(3-chlorophenyl)-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]ethanone
CID 62050486
N,N'-dimethyl-2-methylidene-N'-[(2-methyl-1,3-thiazol-4-yl)methyl]propane-1,3-diamine
CID 103070174
N-[(3-fluoro-4-methylphenyl)methyl]-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]acetamide
CID 86855911
2-[(5-chlorothiophen-2-yl)methyl-methylamino]-1-(2,4,6-trimethylphenyl)ethanone
CID 63565774
1-(1-benzofuran-3-yl)-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]ethanone
CID 62050875
2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-1-(oxolan-3-yl)ethanone
CID 104750436
N-benzyl-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-N-phenylacetamide
CID 86855956
2-(diethylamino)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide
CID 86855478
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]acetamide
CID 86855926
N-[(3-chlorophenyl)methyl]-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]acetamide
CID 86855976

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-1-(2,4,6-trimethylphenyl)ethanone?
The IUPAC name of 2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-1-(2,4,6-trimethylphenyl)ethanone (CID 62051275) is 2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-1-(2,4,6-trimethylphenyl)ethanone.
What is the SMILES notation for 2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-1-(2,4,6-trimethylphenyl)ethanone?
The canonical SMILES for 2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-1-(2,4,6-trimethylphenyl)ethanone is Cc1cc(C)c(C(=O)CN(C)Cc2csc(C)n2)c(C)c1.
What is the InChIKey of 2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-1-(2,4,6-trimethylphenyl)ethanone?
The InChIKey is JKHSSBKQJGNZCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2OS/c1-11-6-12(2)17(13(3)7-11)16(20)9-19(5)8-15-10-21-14(4)18-15/h6-7,10H,8-9H2,1-5H3.
What are the key properties of 2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-1-(2,4,6-trimethylphenyl)ethanone?
2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-1-(2,4,6-trimethylphenyl)ethanone has a molecular weight of 302.44 g/mol, XLogP of 3.69, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-1-(2,4,6-trimethylphenyl)ethanone is sourced from PubChem (CID 62051275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).