1-(2,5-dimethyl-1,3-thiazol-4-yl)-2-(4-methylpiperidin-2-yl)ethanone

C13H20N2OS — CID 116685307

IUPAC1-(2,5-dimethyl-1,3-thiazol-4-yl)-2-(4-methylpiperidin-2-yl)ethanone
SMILESCc1nc(C(=O)CC2CC(C)CCN2)c(C)s1
InChIInChI=1S/C13H20N2OS/c1-8-4-5-14-11(6-8)7-12(16)13-9(2)17-10(3)15-13/h8,11,14H,4-7H2,1-3H3
InChIKeyALCMALHRBPIWMB-UHFFFAOYSA-N
MW252.38 g/mol
LogP2.72
Rot. Bonds3

About 1-(2,5-dimethyl-1,3-thiazol-4-yl)-2-(4-methylpiperidin-2-yl)ethanone

1-(2,5-dimethyl-1,3-thiazol-4-yl)-2-(4-methylpiperidin-2-yl)ethanone (PubChem CID 116685307) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is 1-(2,5-dimethyl-1,3-thiazol-4-yl)-2-(4-methylpiperidin-2-yl)ethanone.

Molecular Properties

Compound Name1-(2,5-dimethyl-1,3-thiazol-4-yl)-2-(4-methylpiperidin-2-yl)ethanone
PubChem CID116685307
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC Name1-(2,5-dimethyl-1,3-thiazol-4-yl)-2-(4-methylpiperidin-2-yl)ethanone
SMILESCc1nc(C(=O)CC2CC(C)CCN2)c(C)s1
InChIInChI=1S/C13H20N2OS/c1-8-4-5-14-11(6-8)7-12(16)13-9(2)17-10(3)15-13/h8,11,14H,4-7H2,1-3H3
InChIKeyALCMALHRBPIWMB-UHFFFAOYSA-N
XLogP2.72
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethyl-1,3-thiazol-4-yl)-2-(4-methylpiperidin-2-yl)ethanone?
The IUPAC name of 1-(2,5-dimethyl-1,3-thiazol-4-yl)-2-(4-methylpiperidin-2-yl)ethanone (CID 116685307) is 1-(2,5-dimethyl-1,3-thiazol-4-yl)-2-(4-methylpiperidin-2-yl)ethanone.
What is the SMILES notation for 1-(2,5-dimethyl-1,3-thiazol-4-yl)-2-(4-methylpiperidin-2-yl)ethanone?
The canonical SMILES for 1-(2,5-dimethyl-1,3-thiazol-4-yl)-2-(4-methylpiperidin-2-yl)ethanone is Cc1nc(C(=O)CC2CC(C)CCN2)c(C)s1.
What is the InChIKey of 1-(2,5-dimethyl-1,3-thiazol-4-yl)-2-(4-methylpiperidin-2-yl)ethanone?
The InChIKey is ALCMALHRBPIWMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-8-4-5-14-11(6-8)7-12(16)13-9(2)17-10(3)15-13/h8,11,14H,4-7H2,1-3H3.
What are the key properties of 1-(2,5-dimethyl-1,3-thiazol-4-yl)-2-(4-methylpiperidin-2-yl)ethanone?
1-(2,5-dimethyl-1,3-thiazol-4-yl)-2-(4-methylpiperidin-2-yl)ethanone has a molecular weight of 252.38 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethyl-1,3-thiazol-4-yl)-2-(4-methylpiperidin-2-yl)ethanone is sourced from PubChem (CID 116685307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).