1-[4-[[2-(dimethylamino)-1,3-thiazol-4-yl]methylamino]piperidin-1-yl]-3,3-dimethylbutan-1-one

C17H30N4OS — CID 71921285

IUPAC1-[4-[[2-(dimethylamino)-1,3-thiazol-4-yl]methylamino]piperidin-1-yl]-3,3-dimethylbutan-1-one
SMILESCN(C)c1nc(CNC2CCN(C(=O)CC(C)(C)C)CC2)cs1
InChIInChI=1S/C17H30N4OS/c1-17(2,3)10-15(22)21-8-6-13(7-9-21)18-11-14-12-23-16(19-14)20(4)5/h12-13,18H,6-11H2,1-5H3
InChIKeyGLNWDJSLDDGWGA-UHFFFAOYSA-N
MW338.52 g/mol
LogP2.73
Rot. Bonds5

About 1-[4-[[2-(dimethylamino)-1,3-thiazol-4-yl]methylamino]piperidin-1-yl]-3,3-dimethylbutan-1-one

1-[4-[[2-(dimethylamino)-1,3-thiazol-4-yl]methylamino]piperidin-1-yl]-3,3-dimethylbutan-1-one (PubChem CID 71921285) has the molecular formula C17H30N4OS and a molecular weight of 338.52 g/mol. Its IUPAC name is 1-[4-[[2-(dimethylamino)-1,3-thiazol-4-yl]methylamino]piperidin-1-yl]-3,3-dimethylbutan-1-one.

Molecular Properties

Compound Name1-[4-[[2-(dimethylamino)-1,3-thiazol-4-yl]methylamino]piperidin-1-yl]-3,3-dimethylbutan-1-one
PubChem CID71921285
Molecular FormulaC17H30N4OS
Molecular Weight338.52 g/mol
Exact Mass338.21
IUPAC Name1-[4-[[2-(dimethylamino)-1,3-thiazol-4-yl]methylamino]piperidin-1-yl]-3,3-dimethylbutan-1-one
SMILESCN(C)c1nc(CNC2CCN(C(=O)CC(C)(C)C)CC2)cs1
InChIInChI=1S/C17H30N4OS/c1-17(2,3)10-15(22)21-8-6-13(7-9-21)18-11-14-12-23-16(19-14)20(4)5/h12-13,18H,6-11H2,1-5H3
InChIKeyGLNWDJSLDDGWGA-UHFFFAOYSA-N
XLogP2.73
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.52
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[[2-(dimethylamino)-1,3-thiazol-4-yl]methylamino]piperidin-1-yl]-3,3-dimethylbutan-1-one?
The IUPAC name of 1-[4-[[2-(dimethylamino)-1,3-thiazol-4-yl]methylamino]piperidin-1-yl]-3,3-dimethylbutan-1-one (CID 71921285) is 1-[4-[[2-(dimethylamino)-1,3-thiazol-4-yl]methylamino]piperidin-1-yl]-3,3-dimethylbutan-1-one.
What is the SMILES notation for 1-[4-[[2-(dimethylamino)-1,3-thiazol-4-yl]methylamino]piperidin-1-yl]-3,3-dimethylbutan-1-one?
The canonical SMILES for 1-[4-[[2-(dimethylamino)-1,3-thiazol-4-yl]methylamino]piperidin-1-yl]-3,3-dimethylbutan-1-one is CN(C)c1nc(CNC2CCN(C(=O)CC(C)(C)C)CC2)cs1.
What is the InChIKey of 1-[4-[[2-(dimethylamino)-1,3-thiazol-4-yl]methylamino]piperidin-1-yl]-3,3-dimethylbutan-1-one?
The InChIKey is GLNWDJSLDDGWGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4OS/c1-17(2,3)10-15(22)21-8-6-13(7-9-21)18-11-14-12-23-16(19-14)20(4)5/h12-13,18H,6-11H2,1-5H3.
What are the key properties of 1-[4-[[2-(dimethylamino)-1,3-thiazol-4-yl]methylamino]piperidin-1-yl]-3,3-dimethylbutan-1-one?
1-[4-[[2-(dimethylamino)-1,3-thiazol-4-yl]methylamino]piperidin-1-yl]-3,3-dimethylbutan-1-one has a molecular weight of 338.52 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[2-(dimethylamino)-1,3-thiazol-4-yl]methylamino]piperidin-1-yl]-3,3-dimethylbutan-1-one is sourced from PubChem (CID 71921285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).