N-[1-(4-methyl-1,3-thiazol-2-yl)piperidin-3-yl]acetamide

C11H17N3OS — CID 171335280

IUPACN-[1-(4-methyl-1,3-thiazol-2-yl)piperidin-3-yl]acetamide
SMILESCC(=O)NC1CCCN(c2nc(C)cs2)C1
InChIInChI=1S/C11H17N3OS/c1-8-7-16-11(12-8)14-5-3-4-10(6-14)13-9(2)15/h7,10H,3-6H2,1-2H3,(H,13,15)
InChIKeyKEQIJYLUVUVIJT-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.56
Rot. Bonds2

About N-[1-(4-methyl-1,3-thiazol-2-yl)piperidin-3-yl]acetamide

N-[1-(4-methyl-1,3-thiazol-2-yl)piperidin-3-yl]acetamide (PubChem CID 171335280) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is N-[1-(4-methyl-1,3-thiazol-2-yl)piperidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-(4-methyl-1,3-thiazol-2-yl)piperidin-3-yl]acetamide
PubChem CID171335280
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC NameN-[1-(4-methyl-1,3-thiazol-2-yl)piperidin-3-yl]acetamide
SMILESCC(=O)NC1CCCN(c2nc(C)cs2)C1
InChIInChI=1S/C11H17N3OS/c1-8-7-16-11(12-8)14-5-3-4-10(6-14)13-9(2)15/h7,10H,3-6H2,1-2H3,(H,13,15)
InChIKeyKEQIJYLUVUVIJT-UHFFFAOYSA-N
XLogP1.56
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methyl-1,3-thiazol-2-yl)piperidin-3-yl]acetamide?
The IUPAC name of N-[1-(4-methyl-1,3-thiazol-2-yl)piperidin-3-yl]acetamide (CID 171335280) is N-[1-(4-methyl-1,3-thiazol-2-yl)piperidin-3-yl]acetamide.
What is the SMILES notation for N-[1-(4-methyl-1,3-thiazol-2-yl)piperidin-3-yl]acetamide?
The canonical SMILES for N-[1-(4-methyl-1,3-thiazol-2-yl)piperidin-3-yl]acetamide is CC(=O)NC1CCCN(c2nc(C)cs2)C1.
What is the InChIKey of N-[1-(4-methyl-1,3-thiazol-2-yl)piperidin-3-yl]acetamide?
The InChIKey is KEQIJYLUVUVIJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c1-8-7-16-11(12-8)14-5-3-4-10(6-14)13-9(2)15/h7,10H,3-6H2,1-2H3,(H,13,15).
What are the key properties of N-[1-(4-methyl-1,3-thiazol-2-yl)piperidin-3-yl]acetamide?
N-[1-(4-methyl-1,3-thiazol-2-yl)piperidin-3-yl]acetamide has a molecular weight of 239.34 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methyl-1,3-thiazol-2-yl)piperidin-3-yl]acetamide is sourced from PubChem (CID 171335280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).