2-(2-ethyl-1,3-thiazol-4-yl)-N-(2-methylpiperidin-4-yl)acetamide;dihydrochloride

C13H23Cl2N3OS — CID 120602063

IUPAC2-(2-ethyl-1,3-thiazol-4-yl)-N-(2-methylpiperidin-4-yl)acetamide;dihydrochloride
SMILESCCc1nc(CC(=O)NC2CCNC(C)C2)cs1.Cl.Cl
InChIInChI=1S/C13H21N3OS.2ClH/c1-3-13-16-11(8-18-13)7-12(17)15-10-4-5-14-9(2)6-10;;/h8-10,14H,3-7H2,1-2H3,(H,15,17);2*1H
InChIKeyUKNHSWATPFMQFN-UHFFFAOYSA-N
MW340.32 g/mol
LogP2.35
Rot. Bonds4

About 2-(2-ethyl-1,3-thiazol-4-yl)-N-(2-methylpiperidin-4-yl)acetamide;dihydrochloride

2-(2-ethyl-1,3-thiazol-4-yl)-N-(2-methylpiperidin-4-yl)acetamide;dihydrochloride (PubChem CID 120602063) has the molecular formula C13H23Cl2N3OS and a molecular weight of 340.32 g/mol. Its IUPAC name is 2-(2-ethyl-1,3-thiazol-4-yl)-N-(2-methylpiperidin-4-yl)acetamide;dihydrochloride.

Molecular Properties

Compound Name2-(2-ethyl-1,3-thiazol-4-yl)-N-(2-methylpiperidin-4-yl)acetamide;dihydrochloride
PubChem CID120602063
Molecular FormulaC13H23Cl2N3OS
Molecular Weight340.32 g/mol
Exact Mass339.09
IUPAC Name2-(2-ethyl-1,3-thiazol-4-yl)-N-(2-methylpiperidin-4-yl)acetamide;dihydrochloride
SMILESCCc1nc(CC(=O)NC2CCNC(C)C2)cs1.Cl.Cl
InChIInChI=1S/C13H21N3OS.2ClH/c1-3-13-16-11(8-18-13)7-12(17)15-10-4-5-14-9(2)6-10;;/h8-10,14H,3-7H2,1-2H3,(H,15,17);2*1H
InChIKeyUKNHSWATPFMQFN-UHFFFAOYSA-N
XLogP2.35
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.32
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-1,3-thiazol-4-yl)-N-(2-methylpiperidin-4-yl)acetamide;dihydrochloride?
The IUPAC name of 2-(2-ethyl-1,3-thiazol-4-yl)-N-(2-methylpiperidin-4-yl)acetamide;dihydrochloride (CID 120602063) is 2-(2-ethyl-1,3-thiazol-4-yl)-N-(2-methylpiperidin-4-yl)acetamide;dihydrochloride.
What is the SMILES notation for 2-(2-ethyl-1,3-thiazol-4-yl)-N-(2-methylpiperidin-4-yl)acetamide;dihydrochloride?
The canonical SMILES for 2-(2-ethyl-1,3-thiazol-4-yl)-N-(2-methylpiperidin-4-yl)acetamide;dihydrochloride is CCc1nc(CC(=O)NC2CCNC(C)C2)cs1.Cl.Cl.
What is the InChIKey of 2-(2-ethyl-1,3-thiazol-4-yl)-N-(2-methylpiperidin-4-yl)acetamide;dihydrochloride?
The InChIKey is UKNHSWATPFMQFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS.2ClH/c1-3-13-16-11(8-18-13)7-12(17)15-10-4-5-14-9(2)6-10;;/h8-10,14H,3-7H2,1-2H3,(H,15,17);2*1H.
What are the key properties of 2-(2-ethyl-1,3-thiazol-4-yl)-N-(2-methylpiperidin-4-yl)acetamide;dihydrochloride?
2-(2-ethyl-1,3-thiazol-4-yl)-N-(2-methylpiperidin-4-yl)acetamide;dihydrochloride has a molecular weight of 340.32 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-1,3-thiazol-4-yl)-N-(2-methylpiperidin-4-yl)acetamide;dihydrochloride is sourced from PubChem (CID 120602063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).