N-[5-[[3-(triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide

C14H20N6OS — CID 139491326

IUPACN-[5-[[3-(triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(CN2CCCC(Cn3ccnn3)C2)s1
InChIInChI=1S/C14H20N6OS/c1-11(21)17-14-15-7-13(22-14)10-19-5-2-3-12(8-19)9-20-6-4-16-18-20/h4,6-7,12H,2-3,5,8-10H2,1H3,(H,15,17,21)
InChIKeyNDBQAVNZHLHLPW-UHFFFAOYSA-N
MW320.42 g/mol
LogP1.61
Rot. Bonds5

About N-[5-[[3-(triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide

N-[5-[[3-(triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 139491326) has the molecular formula C14H20N6OS and a molecular weight of 320.42 g/mol. Its IUPAC name is N-[5-[[3-(triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[[3-(triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID139491326
Molecular FormulaC14H20N6OS
Molecular Weight320.42 g/mol
Exact Mass320.14
IUPAC NameN-[5-[[3-(triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(CN2CCCC(Cn3ccnn3)C2)s1
InChIInChI=1S/C14H20N6OS/c1-11(21)17-14-15-7-13(22-14)10-19-5-2-3-12(8-19)9-20-6-4-16-18-20/h4,6-7,12H,2-3,5,8-10H2,1H3,(H,15,17,21)
InChIKeyNDBQAVNZHLHLPW-UHFFFAOYSA-N
XLogP1.61
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-[[3-(triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-[[3-(triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (CID 139491326) is N-[5-[[3-(triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[[3-(triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[[3-(triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1ncc(CN2CCCC(Cn3ccnn3)C2)s1.
What is the InChIKey of N-[5-[[3-(triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is NDBQAVNZHLHLPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6OS/c1-11(21)17-14-15-7-13(22-14)10-19-5-2-3-12(8-19)9-20-6-4-16-18-20/h4,6-7,12H,2-3,5,8-10H2,1H3,(H,15,17,21).
What are the key properties of N-[5-[[3-(triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
N-[5-[[3-(triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 320.42 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[3-(triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 139491326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).