1-(dimethylamino)-1-(2-methyl-1,3-thiazol-4-yl)hexan-2-one

C12H20N2OS — CID 130410155

IUPAC1-(dimethylamino)-1-(2-methyl-1,3-thiazol-4-yl)hexan-2-one
SMILESCCCCC(=O)C(c1csc(C)n1)N(C)C
InChIInChI=1S/C12H20N2OS/c1-5-6-7-11(15)12(14(3)4)10-8-16-9(2)13-10/h8,12H,5-7H2,1-4H3
InChIKeyLXTCEMCZOCSSCZ-UHFFFAOYSA-N
MW240.37 g/mol
LogP2.81
Rot. Bonds6

About 1-(dimethylamino)-1-(2-methyl-1,3-thiazol-4-yl)hexan-2-one

1-(dimethylamino)-1-(2-methyl-1,3-thiazol-4-yl)hexan-2-one (PubChem CID 130410155) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is 1-(dimethylamino)-1-(2-methyl-1,3-thiazol-4-yl)hexan-2-one.

Molecular Properties

Compound Name1-(dimethylamino)-1-(2-methyl-1,3-thiazol-4-yl)hexan-2-one
PubChem CID130410155
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC Name1-(dimethylamino)-1-(2-methyl-1,3-thiazol-4-yl)hexan-2-one
SMILESCCCCC(=O)C(c1csc(C)n1)N(C)C
InChIInChI=1S/C12H20N2OS/c1-5-6-7-11(15)12(14(3)4)10-8-16-9(2)13-10/h8,12H,5-7H2,1-4H3
InChIKeyLXTCEMCZOCSSCZ-UHFFFAOYSA-N
XLogP2.81
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-1-(2-methyl-1,3-thiazol-4-yl)hexan-2-one?
The IUPAC name of 1-(dimethylamino)-1-(2-methyl-1,3-thiazol-4-yl)hexan-2-one (CID 130410155) is 1-(dimethylamino)-1-(2-methyl-1,3-thiazol-4-yl)hexan-2-one.
What is the SMILES notation for 1-(dimethylamino)-1-(2-methyl-1,3-thiazol-4-yl)hexan-2-one?
The canonical SMILES for 1-(dimethylamino)-1-(2-methyl-1,3-thiazol-4-yl)hexan-2-one is CCCCC(=O)C(c1csc(C)n1)N(C)C.
What is the InChIKey of 1-(dimethylamino)-1-(2-methyl-1,3-thiazol-4-yl)hexan-2-one?
The InChIKey is LXTCEMCZOCSSCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-5-6-7-11(15)12(14(3)4)10-8-16-9(2)13-10/h8,12H,5-7H2,1-4H3.
What are the key properties of 1-(dimethylamino)-1-(2-methyl-1,3-thiazol-4-yl)hexan-2-one?
1-(dimethylamino)-1-(2-methyl-1,3-thiazol-4-yl)hexan-2-one has a molecular weight of 240.37 g/mol, XLogP of 2.81, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-1-(2-methyl-1,3-thiazol-4-yl)hexan-2-one is sourced from PubChem (CID 130410155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).