N-[5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide

C12H19N3OS — CID 671270

IUPACN-[5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(CN2CCC(C)CC2)s1
InChIInChI=1S/C12H19N3OS/c1-9-3-5-15(6-4-9)8-11-7-13-12(17-11)14-10(2)16/h7,9H,3-6,8H2,1-2H3,(H,13,14,16)
InChIKeyMEYWHXMBGLUUCR-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.33
Rot. Bonds3

About N-[5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide

N-[5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 671270) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is N-[5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID671270
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC NameN-[5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(CN2CCC(C)CC2)s1
InChIInChI=1S/C12H19N3OS/c1-9-3-5-15(6-4-9)8-11-7-13-12(17-11)14-10(2)16/h7,9H,3-6,8H2,1-2H3,(H,13,14,16)
InChIKeyMEYWHXMBGLUUCR-UHFFFAOYSA-N
XLogP2.33
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 ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide (CID 671270) is N-[5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1ncc(CN2CCC(C)CC2)s1.
What is the InChIKey of N-[5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is MEYWHXMBGLUUCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-9-3-5-15(6-4-9)8-11-7-13-12(17-11)14-10(2)16/h7,9H,3-6,8H2,1-2H3,(H,13,14,16).
What are the key properties of N-[5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide?
N-[5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 253.37 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 671270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).