4-[2-(3-methoxypiperidin-1-yl)-4-pyridinyl]-N-thiophen-3-yl-1,3,5-triazin-2-amine

C18H20N6OS — CID 46206953

IUPAC4-[2-(3-methoxypiperidin-1-yl)-4-pyridinyl]-N-thiophen-3-yl-1,3,5-triazin-2-amine
SMILESCOC1CCCN(c2cc(-c3ncnc(Nc4ccsc4)n3)ccn2)C1
InChIInChI=1S/C18H20N6OS/c1-25-15-3-2-7-24(10-15)16-9-13(4-6-19-16)17-20-12-21-18(23-17)22-14-5-8-26-11-14/h4-6,8-9,11-12,15H,2-3,7,10H2,1H3,(H,20,21,22,23)
InChIKeyJLWHXAIEFUPJHS-UHFFFAOYSA-N
MW368.47 g/mol
LogP3.35
Rot. Bonds5

About 4-[2-(3-methoxypiperidin-1-yl)-4-pyridinyl]-N-thiophen-3-yl-1,3,5-triazin-2-amine

4-[2-(3-methoxypiperidin-1-yl)-4-pyridinyl]-N-thiophen-3-yl-1,3,5-triazin-2-amine (PubChem CID 46206953) has the molecular formula C18H20N6OS and a molecular weight of 368.47 g/mol. Its IUPAC name is 4-[2-(3-methoxypiperidin-1-yl)-4-pyridinyl]-N-thiophen-3-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-[2-(3-methoxypiperidin-1-yl)-4-pyridinyl]-N-thiophen-3-yl-1,3,5-triazin-2-amine
PubChem CID46206953
Molecular FormulaC18H20N6OS
Molecular Weight368.47 g/mol
Exact Mass368.14
IUPAC Name4-[2-(3-methoxypiperidin-1-yl)-4-pyridinyl]-N-thiophen-3-yl-1,3,5-triazin-2-amine
SMILESCOC1CCCN(c2cc(-c3ncnc(Nc4ccsc4)n3)ccn2)C1
InChIInChI=1S/C18H20N6OS/c1-25-15-3-2-7-24(10-15)16-9-13(4-6-19-16)17-20-12-21-18(23-17)22-14-5-8-26-11-14/h4-6,8-9,11-12,15H,2-3,7,10H2,1H3,(H,20,21,22,23)
InChIKeyJLWHXAIEFUPJHS-UHFFFAOYSA-N
XLogP3.35
TPSA76.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.47
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-[2-(3-methoxypiperidin-1-yl)-4-pyridinyl]-N-thiophen-3-yl-1,3,5-triazin-2-amine with MolForge

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Related Compounds

2-[(3R)-3-methoxypiperidin-1-yl]pyridin-4-amine
CID 129413992
[4-(3-methoxypiperidin-1-yl)pyrimidin-2-yl]hydrazine
CID 102972011
2-(3-methoxypiperidin-1-yl)pyridine
CID 90697090
N-ethyl-1-[2-(3-methoxypiperidin-1-yl)-4-pyridinyl]ethanamine
CID 102959126
8-[2-(3-methoxypiperidin-1-yl)-4-pyridinyl]-3-propan-2-yloxy-7-azabicyclo[4.2.0]octa-1(6),2,4,7-tetraene
CID 123724651
1-[2-(3-methoxypiperidin-1-yl)-4-pyridinyl]-6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridine
CID 159016860
(1S)-1-[3-[2-(3-methoxyazetidin-1-yl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethanamine
CID 155272222
1-[3-[2-(3-methoxyazetidin-1-yl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethanamine
CID 155272225
1-[2-(3-methoxypyrrolidin-1-yl)-4-pyridinyl]-N-methylmethanamine
CID 103539385
1-[6-(3-methoxypiperidin-1-yl)-3-pyridinyl]ethanone
CID 103894520
6-(3-methoxypiperidin-1-yl)pyrido[3,2-d]pyrimidin-4-amine
CID 90016691
4-[6-(3-ethylpiperazin-1-yl)-3-pyridinyl]-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine
CID 23536078

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-methoxypiperidin-1-yl)-4-pyridinyl]-N-thiophen-3-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-[2-(3-methoxypiperidin-1-yl)-4-pyridinyl]-N-thiophen-3-yl-1,3,5-triazin-2-amine (CID 46206953) is 4-[2-(3-methoxypiperidin-1-yl)-4-pyridinyl]-N-thiophen-3-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-[2-(3-methoxypiperidin-1-yl)-4-pyridinyl]-N-thiophen-3-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-[2-(3-methoxypiperidin-1-yl)-4-pyridinyl]-N-thiophen-3-yl-1,3,5-triazin-2-amine is COC1CCCN(c2cc(-c3ncnc(Nc4ccsc4)n3)ccn2)C1.
What is the InChIKey of 4-[2-(3-methoxypiperidin-1-yl)-4-pyridinyl]-N-thiophen-3-yl-1,3,5-triazin-2-amine?
The InChIKey is JLWHXAIEFUPJHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6OS/c1-25-15-3-2-7-24(10-15)16-9-13(4-6-19-16)17-20-12-21-18(23-17)22-14-5-8-26-11-14/h4-6,8-9,11-12,15H,2-3,7,10H2,1H3,(H,20,21,22,23).
What are the key properties of 4-[2-(3-methoxypiperidin-1-yl)-4-pyridinyl]-N-thiophen-3-yl-1,3,5-triazin-2-amine?
4-[2-(3-methoxypiperidin-1-yl)-4-pyridinyl]-N-thiophen-3-yl-1,3,5-triazin-2-amine has a molecular weight of 368.47 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-methoxypiperidin-1-yl)-4-pyridinyl]-N-thiophen-3-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 46206953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).