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

C15H19N5OS — CID 47053761

IUPACN-[1-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]acetamide
SMILESCC(=O)NC1CCCN(Cc2csc(-c3ncccn3)n2)C1
InChIInChI=1S/C15H19N5OS/c1-11(21)18-12-4-2-7-20(8-12)9-13-10-22-15(19-13)14-16-5-3-6-17-14/h3,5-6,10,12H,2,4,7-9H2,1H3,(H,18,21)
InChIKeyXLPIKHLCFBKMOW-UHFFFAOYSA-N
MW317.42 g/mol
LogP1.70
Rot. Bonds4

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

N-[1-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]acetamide (PubChem CID 47053761) has the molecular formula C15H19N5OS and a molecular weight of 317.42 g/mol. Its IUPAC name is N-[1-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]acetamide
PubChem CID47053761
Molecular FormulaC15H19N5OS
Molecular Weight317.42 g/mol
Exact Mass317.13
IUPAC NameN-[1-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]acetamide
SMILESCC(=O)NC1CCCN(Cc2csc(-c3ncccn3)n2)C1
InChIInChI=1S/C15H19N5OS/c1-11(21)18-12-4-2-7-20(8-12)9-13-10-22-15(19-13)14-16-5-3-6-17-14/h3,5-6,10,12H,2,4,7-9H2,1H3,(H,18,21)
InChIKeyXLPIKHLCFBKMOW-UHFFFAOYSA-N
XLogP1.70
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.42
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]acetamide?
The IUPAC name of N-[1-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]acetamide (CID 47053761) is N-[1-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]acetamide.
What is the SMILES notation for N-[1-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]acetamide?
The canonical SMILES for N-[1-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]acetamide is CC(=O)NC1CCCN(Cc2csc(-c3ncccn3)n2)C1.
What is the InChIKey of N-[1-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]acetamide?
The InChIKey is XLPIKHLCFBKMOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5OS/c1-11(21)18-12-4-2-7-20(8-12)9-13-10-22-15(19-13)14-16-5-3-6-17-14/h3,5-6,10,12H,2,4,7-9H2,1H3,(H,18,21).
What are the key properties of N-[1-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]acetamide?
N-[1-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]acetamide has a molecular weight of 317.42 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]acetamide is sourced from PubChem (CID 47053761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).