[4-methoxy-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidin-2-yl]methanamine

C13H23N3OS — CID 112622641

IUPAC[4-methoxy-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidin-2-yl]methanamine
SMILESCOC1CCN(CCc2scnc2C)C(CN)C1
InChIInChI=1S/C13H23N3OS/c1-10-13(18-9-15-10)4-6-16-5-3-12(17-2)7-11(16)8-14/h9,11-12H,3-8,14H2,1-2H3
InChIKeyDNBKKYJHJZGLKA-UHFFFAOYSA-N
MW269.41 g/mol
LogP1.43
Rot. Bonds5

About [4-methoxy-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidin-2-yl]methanamine

[4-methoxy-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidin-2-yl]methanamine (PubChem CID 112622641) has the molecular formula C13H23N3OS and a molecular weight of 269.41 g/mol. Its IUPAC name is [4-methoxy-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidin-2-yl]methanamine.

Molecular Properties

Compound Name[4-methoxy-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidin-2-yl]methanamine
PubChem CID112622641
Molecular FormulaC13H23N3OS
Molecular Weight269.41 g/mol
Exact Mass269.16
IUPAC Name[4-methoxy-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidin-2-yl]methanamine
SMILESCOC1CCN(CCc2scnc2C)C(CN)C1
InChIInChI=1S/C13H23N3OS/c1-10-13(18-9-15-10)4-6-16-5-3-12(17-2)7-11(16)8-14/h9,11-12H,3-8,14H2,1-2H3
InChIKeyDNBKKYJHJZGLKA-UHFFFAOYSA-N
XLogP1.43
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-methoxy-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidin-2-yl]methanamine?
The IUPAC name of [4-methoxy-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidin-2-yl]methanamine (CID 112622641) is [4-methoxy-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidin-2-yl]methanamine.
What is the SMILES notation for [4-methoxy-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidin-2-yl]methanamine?
The canonical SMILES for [4-methoxy-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidin-2-yl]methanamine is COC1CCN(CCc2scnc2C)C(CN)C1.
What is the InChIKey of [4-methoxy-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidin-2-yl]methanamine?
The InChIKey is DNBKKYJHJZGLKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3OS/c1-10-13(18-9-15-10)4-6-16-5-3-12(17-2)7-11(16)8-14/h9,11-12H,3-8,14H2,1-2H3.
What are the key properties of [4-methoxy-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidin-2-yl]methanamine?
[4-methoxy-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidin-2-yl]methanamine has a molecular weight of 269.41 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methoxy-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidin-2-yl]methanamine is sourced from PubChem (CID 112622641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).