1-(dimethylamino)-3-methyl-1-(2-methyl-1,3-benzothiazol-5-yl)butan-2-one;methane

C16H24N2OS — CID 158901382

IUPAC1-(dimethylamino)-3-methyl-1-(2-methyl-1,3-benzothiazol-5-yl)butan-2-one;methane
SMILESC.Cc1nc2cc(C(C(=O)C(C)C)N(C)C)ccc2s1
InChIInChI=1S/C15H20N2OS.CH4/c1-9(2)15(18)14(17(4)5)11-6-7-13-12(8-11)16-10(3)19-13;/h6-9,14H,1-5H3;1H4
InChIKeyJFMIDDWISXTIKY-UHFFFAOYSA-N
MW292.45 g/mol
LogP4.07
Rot. Bonds4

About 1-(dimethylamino)-3-methyl-1-(2-methyl-1,3-benzothiazol-5-yl)butan-2-one;methane

1-(dimethylamino)-3-methyl-1-(2-methyl-1,3-benzothiazol-5-yl)butan-2-one;methane (PubChem CID 158901382) has the molecular formula C16H24N2OS and a molecular weight of 292.45 g/mol. Its IUPAC name is 1-(dimethylamino)-3-methyl-1-(2-methyl-1,3-benzothiazol-5-yl)butan-2-one;methane.

Molecular Properties

Compound Name1-(dimethylamino)-3-methyl-1-(2-methyl-1,3-benzothiazol-5-yl)butan-2-one;methane
PubChem CID158901382
Molecular FormulaC16H24N2OS
Molecular Weight292.45 g/mol
Exact Mass292.16
IUPAC Name1-(dimethylamino)-3-methyl-1-(2-methyl-1,3-benzothiazol-5-yl)butan-2-one;methane
SMILESC.Cc1nc2cc(C(C(=O)C(C)C)N(C)C)ccc2s1
InChIInChI=1S/C15H20N2OS.CH4/c1-9(2)15(18)14(17(4)5)11-6-7-13-12(8-11)16-10(3)19-13;/h6-9,14H,1-5H3;1H4
InChIKeyJFMIDDWISXTIKY-UHFFFAOYSA-N
XLogP4.07
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-3-methyl-1-(2-methyl-1,3-benzothiazol-5-yl)butan-2-one;methane?
The IUPAC name of 1-(dimethylamino)-3-methyl-1-(2-methyl-1,3-benzothiazol-5-yl)butan-2-one;methane (CID 158901382) is 1-(dimethylamino)-3-methyl-1-(2-methyl-1,3-benzothiazol-5-yl)butan-2-one;methane.
What is the SMILES notation for 1-(dimethylamino)-3-methyl-1-(2-methyl-1,3-benzothiazol-5-yl)butan-2-one;methane?
The canonical SMILES for 1-(dimethylamino)-3-methyl-1-(2-methyl-1,3-benzothiazol-5-yl)butan-2-one;methane is C.Cc1nc2cc(C(C(=O)C(C)C)N(C)C)ccc2s1.
What is the InChIKey of 1-(dimethylamino)-3-methyl-1-(2-methyl-1,3-benzothiazol-5-yl)butan-2-one;methane?
The InChIKey is JFMIDDWISXTIKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS.CH4/c1-9(2)15(18)14(17(4)5)11-6-7-13-12(8-11)16-10(3)19-13;/h6-9,14H,1-5H3;1H4.
What are the key properties of 1-(dimethylamino)-3-methyl-1-(2-methyl-1,3-benzothiazol-5-yl)butan-2-one;methane?
1-(dimethylamino)-3-methyl-1-(2-methyl-1,3-benzothiazol-5-yl)butan-2-one;methane has a molecular weight of 292.45 g/mol, XLogP of 4.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-3-methyl-1-(2-methyl-1,3-benzothiazol-5-yl)butan-2-one;methane is sourced from PubChem (CID 158901382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).