2-(4,4-dimethylpiperidin-1-yl)-N-(1,3-thiazol-2-yl)acetamide

C12H19N3OS — CID 91196380

IUPAC2-(4,4-dimethylpiperidin-1-yl)-N-(1,3-thiazol-2-yl)acetamide
SMILESCC1(C)CCN(CC(=O)Nc2nccs2)CC1
InChIInChI=1S/C12H19N3OS/c1-12(2)3-6-15(7-4-12)9-10(16)14-11-13-5-8-17-11/h5,8H,3-4,6-7,9H2,1-2H3,(H,13,14,16)
InChIKeyWMMHJCSETPPELR-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.20
Rot. Bonds3

About 2-(4,4-dimethylpiperidin-1-yl)-N-(1,3-thiazol-2-yl)acetamide

2-(4,4-dimethylpiperidin-1-yl)-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 91196380) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is 2-(4,4-dimethylpiperidin-1-yl)-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(4,4-dimethylpiperidin-1-yl)-N-(1,3-thiazol-2-yl)acetamide
PubChem CID91196380
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC Name2-(4,4-dimethylpiperidin-1-yl)-N-(1,3-thiazol-2-yl)acetamide
SMILESCC1(C)CCN(CC(=O)Nc2nccs2)CC1
InChIInChI=1S/C12H19N3OS/c1-12(2)3-6-15(7-4-12)9-10(16)14-11-13-5-8-17-11/h5,8H,3-4,6-7,9H2,1-2H3,(H,13,14,16)
InChIKeyWMMHJCSETPPELR-UHFFFAOYSA-N
XLogP2.20
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4,4-dimethylpiperidin-1-yl)-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(4,4-dimethylpiperidin-1-yl)-N-(1,3-thiazol-2-yl)acetamide (CID 91196380) is 2-(4,4-dimethylpiperidin-1-yl)-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(4,4-dimethylpiperidin-1-yl)-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(4,4-dimethylpiperidin-1-yl)-N-(1,3-thiazol-2-yl)acetamide is CC1(C)CCN(CC(=O)Nc2nccs2)CC1.
What is the InChIKey of 2-(4,4-dimethylpiperidin-1-yl)-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is WMMHJCSETPPELR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-12(2)3-6-15(7-4-12)9-10(16)14-11-13-5-8-17-11/h5,8H,3-4,6-7,9H2,1-2H3,(H,13,14,16).
What are the key properties of 2-(4,4-dimethylpiperidin-1-yl)-N-(1,3-thiazol-2-yl)acetamide?
2-(4,4-dimethylpiperidin-1-yl)-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 253.37 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-dimethylpiperidin-1-yl)-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 91196380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).