1-[2-[2,2-dimethylpropyl(methyl)amino]-4-methyl-1,3-thiazol-5-yl]ethanone

C12H20N2OS — CID 62751156

IUPAC1-[2-[2,2-dimethylpropyl(methyl)amino]-4-methyl-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1sc(N(C)CC(C)(C)C)nc1C
InChIInChI=1S/C12H20N2OS/c1-8-10(9(2)15)16-11(13-8)14(6)7-12(3,4)5/h7H2,1-6H3
InChIKeyLRSQUAZJFIDMBK-UHFFFAOYSA-N
MW240.37 g/mol
LogP3.14
Rot. Bonds3

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

1-[2-[2,2-dimethylpropyl(methyl)amino]-4-methyl-1,3-thiazol-5-yl]ethanone (PubChem CID 62751156) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is 1-[2-[2,2-dimethylpropyl(methyl)amino]-4-methyl-1,3-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[2-[2,2-dimethylpropyl(methyl)amino]-4-methyl-1,3-thiazol-5-yl]ethanone
PubChem CID62751156
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC Name1-[2-[2,2-dimethylpropyl(methyl)amino]-4-methyl-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1sc(N(C)CC(C)(C)C)nc1C
InChIInChI=1S/C12H20N2OS/c1-8-10(9(2)15)16-11(13-8)14(6)7-12(3,4)5/h7H2,1-6H3
InChIKeyLRSQUAZJFIDMBK-UHFFFAOYSA-N
XLogP3.14
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[2-[2,2-dimethylpropyl(methyl)amino]-4-methyl-1,3-thiazol-5-yl]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

2-[2,2-dimethylpropyl(methyl)amino]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 62765133
1-[4-methyl-2-[methyl(2-methylsulfonylethyl)amino]-1,3-thiazol-5-yl]ethanone
CID 79858127
4-methyl-2-[methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylic acid
CID 62765287
1-[2-[cyclohexylmethyl(methyl)amino]-4-methyl-1,3-thiazol-5-yl]ethanone
CID 62750312
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-N-methyl-2-oxopropanamide
CID 110478273
1-[4-methyl-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-1,3-thiazol-5-yl]ethanone
CID 55113615
1-[2-[(5-chlorothiophen-2-yl)methyl-methylamino]-4-methyl-1,3-thiazol-5-yl]ethanone
CID 62750629
1-[4-methyl-2-[2-methylpropyl(propan-2-yl)amino]-1,3-thiazol-5-yl]ethanone
CID 55114088
(5-acetyl-4-methyl-1,3-thiazol-2-yl)-phenylcarbamic acid
CID 69134146
1-[2-(N-ethyl-4-methylanilino)-4-methyl-1,3-thiazol-5-yl]ethanone
CID 62752167
1-[4-methyl-2-(N-phenylanilino)-1,3-thiazol-5-yl]ethanone
CID 17391570
1-(2-bromo-4-methyl-1,3-thiazol-5-yl)ethanone
CID 66644881

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2,2-dimethylpropyl(methyl)amino]-4-methyl-1,3-thiazol-5-yl]ethanone?
The IUPAC name of 1-[2-[2,2-dimethylpropyl(methyl)amino]-4-methyl-1,3-thiazol-5-yl]ethanone (CID 62751156) is 1-[2-[2,2-dimethylpropyl(methyl)amino]-4-methyl-1,3-thiazol-5-yl]ethanone.
What is the SMILES notation for 1-[2-[2,2-dimethylpropyl(methyl)amino]-4-methyl-1,3-thiazol-5-yl]ethanone?
The canonical SMILES for 1-[2-[2,2-dimethylpropyl(methyl)amino]-4-methyl-1,3-thiazol-5-yl]ethanone is CC(=O)c1sc(N(C)CC(C)(C)C)nc1C.
What is the InChIKey of 1-[2-[2,2-dimethylpropyl(methyl)amino]-4-methyl-1,3-thiazol-5-yl]ethanone?
The InChIKey is LRSQUAZJFIDMBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-8-10(9(2)15)16-11(13-8)14(6)7-12(3,4)5/h7H2,1-6H3.
What are the key properties of 1-[2-[2,2-dimethylpropyl(methyl)amino]-4-methyl-1,3-thiazol-5-yl]ethanone?
1-[2-[2,2-dimethylpropyl(methyl)amino]-4-methyl-1,3-thiazol-5-yl]ethanone has a molecular weight of 240.37 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2,2-dimethylpropyl(methyl)amino]-4-methyl-1,3-thiazol-5-yl]ethanone is sourced from PubChem (CID 62751156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).