1-[2-(2-aminoethyl)-1,3-thiazol-4-yl]-2-(2,6-dimethylphenyl)ethanone

C15H18N2OS — CID 116585460

IUPAC1-[2-(2-aminoethyl)-1,3-thiazol-4-yl]-2-(2,6-dimethylphenyl)ethanone
SMILESCc1cccc(C)c1CC(=O)c1csc(CCN)n1
InChIInChI=1S/C15H18N2OS/c1-10-4-3-5-11(2)12(10)8-14(18)13-9-19-15(17-13)6-7-16/h3-5,9H,6-8,16H2,1-2H3
InChIKeyKGLIGTRUENDRFV-UHFFFAOYSA-N
MW274.39 g/mol
LogP2.69
Rot. Bonds5

About 1-[2-(2-aminoethyl)-1,3-thiazol-4-yl]-2-(2,6-dimethylphenyl)ethanone

1-[2-(2-aminoethyl)-1,3-thiazol-4-yl]-2-(2,6-dimethylphenyl)ethanone (PubChem CID 116585460) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is 1-[2-(2-aminoethyl)-1,3-thiazol-4-yl]-2-(2,6-dimethylphenyl)ethanone.

Molecular Properties

Compound Name1-[2-(2-aminoethyl)-1,3-thiazol-4-yl]-2-(2,6-dimethylphenyl)ethanone
PubChem CID116585460
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC Name1-[2-(2-aminoethyl)-1,3-thiazol-4-yl]-2-(2,6-dimethylphenyl)ethanone
SMILESCc1cccc(C)c1CC(=O)c1csc(CCN)n1
InChIInChI=1S/C15H18N2OS/c1-10-4-3-5-11(2)12(10)8-14(18)13-9-19-15(17-13)6-7-16/h3-5,9H,6-8,16H2,1-2H3
InChIKeyKGLIGTRUENDRFV-UHFFFAOYSA-N
XLogP2.69
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[2-(2-aminoethyl)-1,3-thiazol-4-yl]-2-(2,6-dimethylphenyl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(2-aminoethyl)-1,3-thiazol-4-yl]-2-(2-bromophenyl)ethanone
CID 116585435
1-[2-(2-aminoethyl)-1,3-thiazol-4-yl]-2-(3,5-dimethylphenyl)ethanone
CID 116585354
1-[2-(2-aminoethyl)-1,3-thiazol-4-yl]-2-(2-bromo-3-fluorophenyl)ethanone
CID 116585568
1-[2-(2-aminoethyl)-1,3-thiazol-4-yl]-2-thiophen-3-ylethanone
CID 116585550
2-(2-aminoethyl)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 120617526
2-(2-aminoethyl)-N-[2-methyl-1-(2-methylphenyl)propan-2-yl]-1,3-thiazole-4-carboxamide
CID 120630938
2-(2-aminoethyl)-N-[2-(7-methyl-1H-indol-3-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 120632210
2-(2-aminoethyl)-N-(2,5-dimethylpyrrol-1-yl)-1,3-thiazole-4-carboxamide
CID 79100029
2-(2-aminoethyl)-N-(2-cyano-3-methylphenyl)-1,3-thiazole-4-carboxamide
CID 107805115
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 120639509
1-[2-(2-aminoethyl)-1,3-thiazol-4-yl]-3-(4-methoxyphenyl)propan-1-one
CID 116585377
2-(2-aminoethyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 66375134

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-aminoethyl)-1,3-thiazol-4-yl]-2-(2,6-dimethylphenyl)ethanone?
The IUPAC name of 1-[2-(2-aminoethyl)-1,3-thiazol-4-yl]-2-(2,6-dimethylphenyl)ethanone (CID 116585460) is 1-[2-(2-aminoethyl)-1,3-thiazol-4-yl]-2-(2,6-dimethylphenyl)ethanone.
What is the SMILES notation for 1-[2-(2-aminoethyl)-1,3-thiazol-4-yl]-2-(2,6-dimethylphenyl)ethanone?
The canonical SMILES for 1-[2-(2-aminoethyl)-1,3-thiazol-4-yl]-2-(2,6-dimethylphenyl)ethanone is Cc1cccc(C)c1CC(=O)c1csc(CCN)n1.
What is the InChIKey of 1-[2-(2-aminoethyl)-1,3-thiazol-4-yl]-2-(2,6-dimethylphenyl)ethanone?
The InChIKey is KGLIGTRUENDRFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-10-4-3-5-11(2)12(10)8-14(18)13-9-19-15(17-13)6-7-16/h3-5,9H,6-8,16H2,1-2H3.
What are the key properties of 1-[2-(2-aminoethyl)-1,3-thiazol-4-yl]-2-(2,6-dimethylphenyl)ethanone?
1-[2-(2-aminoethyl)-1,3-thiazol-4-yl]-2-(2,6-dimethylphenyl)ethanone has a molecular weight of 274.39 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-aminoethyl)-1,3-thiazol-4-yl]-2-(2,6-dimethylphenyl)ethanone is sourced from PubChem (CID 116585460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).