5-methyl-2-(1-methylpiperidin-4-yl)-6,7-dihydro-5H-1,3-benzothiazol-4-one

C14H20N2OS — CID 118531717

IUPAC5-methyl-2-(1-methylpiperidin-4-yl)-6,7-dihydro-5H-1,3-benzothiazol-4-one
SMILESCC1CCc2sc(C3CCN(C)CC3)nc2C1=O
InChIInChI=1S/C14H20N2OS/c1-9-3-4-11-12(13(9)17)15-14(18-11)10-5-7-16(2)8-6-10/h9-10H,3-8H2,1-2H3
InChIKeyFDGUHGWGMTVOPY-UHFFFAOYSA-N
MW264.39 g/mol
LogP2.72
Rot. Bonds1

About 5-methyl-2-(1-methylpiperidin-4-yl)-6,7-dihydro-5H-1,3-benzothiazol-4-one

5-methyl-2-(1-methylpiperidin-4-yl)-6,7-dihydro-5H-1,3-benzothiazol-4-one (PubChem CID 118531717) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is 5-methyl-2-(1-methylpiperidin-4-yl)-6,7-dihydro-5H-1,3-benzothiazol-4-one.

Molecular Properties

Compound Name5-methyl-2-(1-methylpiperidin-4-yl)-6,7-dihydro-5H-1,3-benzothiazol-4-one
PubChem CID118531717
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC Name5-methyl-2-(1-methylpiperidin-4-yl)-6,7-dihydro-5H-1,3-benzothiazol-4-one
SMILESCC1CCc2sc(C3CCN(C)CC3)nc2C1=O
InChIInChI=1S/C14H20N2OS/c1-9-3-4-11-12(13(9)17)15-14(18-11)10-5-7-16(2)8-6-10/h9-10H,3-8H2,1-2H3
InChIKeyFDGUHGWGMTVOPY-UHFFFAOYSA-N
XLogP2.72
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(1-methylpiperidin-4-yl)-6,7-dihydro-5H-1,3-benzothiazol-4-one?
The IUPAC name of 5-methyl-2-(1-methylpiperidin-4-yl)-6,7-dihydro-5H-1,3-benzothiazol-4-one (CID 118531717) is 5-methyl-2-(1-methylpiperidin-4-yl)-6,7-dihydro-5H-1,3-benzothiazol-4-one.
What is the SMILES notation for 5-methyl-2-(1-methylpiperidin-4-yl)-6,7-dihydro-5H-1,3-benzothiazol-4-one?
The canonical SMILES for 5-methyl-2-(1-methylpiperidin-4-yl)-6,7-dihydro-5H-1,3-benzothiazol-4-one is CC1CCc2sc(C3CCN(C)CC3)nc2C1=O.
What is the InChIKey of 5-methyl-2-(1-methylpiperidin-4-yl)-6,7-dihydro-5H-1,3-benzothiazol-4-one?
The InChIKey is FDGUHGWGMTVOPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS/c1-9-3-4-11-12(13(9)17)15-14(18-11)10-5-7-16(2)8-6-10/h9-10H,3-8H2,1-2H3.
What are the key properties of 5-methyl-2-(1-methylpiperidin-4-yl)-6,7-dihydro-5H-1,3-benzothiazol-4-one?
5-methyl-2-(1-methylpiperidin-4-yl)-6,7-dihydro-5H-1,3-benzothiazol-4-one has a molecular weight of 264.39 g/mol, XLogP of 2.72, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(1-methylpiperidin-4-yl)-6,7-dihydro-5H-1,3-benzothiazol-4-one is sourced from PubChem (CID 118531717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).