1-[2-[1-(dimethylamino)-2-methylpropyl]-4-methyl-1,3-thiazol-5-yl]ethanone

C12H20N2OS — CID 82117433

IUPAC1-[2-[1-(dimethylamino)-2-methylpropyl]-4-methyl-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1sc(C(C(C)C)N(C)C)nc1C
InChIInChI=1S/C12H20N2OS/c1-7(2)10(14(5)6)12-13-8(3)11(16-12)9(4)15/h7,10H,1-6H3
InChIKeyNOAQBMFJTJZWKB-UHFFFAOYSA-N
MW240.37 g/mol
LogP2.91
Rot. Bonds4

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

1-[2-[1-(dimethylamino)-2-methylpropyl]-4-methyl-1,3-thiazol-5-yl]ethanone (PubChem CID 82117433) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is 1-[2-[1-(dimethylamino)-2-methylpropyl]-4-methyl-1,3-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[2-[1-(dimethylamino)-2-methylpropyl]-4-methyl-1,3-thiazol-5-yl]ethanone
PubChem CID82117433
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC Name1-[2-[1-(dimethylamino)-2-methylpropyl]-4-methyl-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1sc(C(C(C)C)N(C)C)nc1C
InChIInChI=1S/C12H20N2OS/c1-7(2)10(14(5)6)12-13-8(3)11(16-12)9(4)15/h7,10H,1-6H3
InChIKeyNOAQBMFJTJZWKB-UHFFFAOYSA-N
XLogP2.91
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-(dimethylamino)-2-methylpropyl]-4-methyl-1,3-thiazol-5-yl]ethanone?
The IUPAC name of 1-[2-[1-(dimethylamino)-2-methylpropyl]-4-methyl-1,3-thiazol-5-yl]ethanone (CID 82117433) is 1-[2-[1-(dimethylamino)-2-methylpropyl]-4-methyl-1,3-thiazol-5-yl]ethanone.
What is the SMILES notation for 1-[2-[1-(dimethylamino)-2-methylpropyl]-4-methyl-1,3-thiazol-5-yl]ethanone?
The canonical SMILES for 1-[2-[1-(dimethylamino)-2-methylpropyl]-4-methyl-1,3-thiazol-5-yl]ethanone is CC(=O)c1sc(C(C(C)C)N(C)C)nc1C.
What is the InChIKey of 1-[2-[1-(dimethylamino)-2-methylpropyl]-4-methyl-1,3-thiazol-5-yl]ethanone?
The InChIKey is NOAQBMFJTJZWKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-7(2)10(14(5)6)12-13-8(3)11(16-12)9(4)15/h7,10H,1-6H3.
What are the key properties of 1-[2-[1-(dimethylamino)-2-methylpropyl]-4-methyl-1,3-thiazol-5-yl]ethanone?
1-[2-[1-(dimethylamino)-2-methylpropyl]-4-methyl-1,3-thiazol-5-yl]ethanone has a molecular weight of 240.37 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-(dimethylamino)-2-methylpropyl]-4-methyl-1,3-thiazol-5-yl]ethanone is sourced from PubChem (CID 82117433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).