[2-(3-methoxy-4-methylpiperidin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine

C14H25N3OS — CID 102968507

IUPAC[2-(3-methoxy-4-methylpiperidin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine
SMILESCOC1CN(c2nc(C(C)C)c(CN)s2)CCC1C
InChIInChI=1S/C14H25N3OS/c1-9(2)13-12(7-15)19-14(16-13)17-6-5-10(3)11(8-17)18-4/h9-11H,5-8,15H2,1-4H3
InChIKeyGKAWPGMLGPMRNY-UHFFFAOYSA-N
MW283.44 g/mol
LogP2.59
Rot. Bonds4

About [2-(3-methoxy-4-methylpiperidin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine

[2-(3-methoxy-4-methylpiperidin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine (PubChem CID 102968507) has the molecular formula C14H25N3OS and a molecular weight of 283.44 g/mol. Its IUPAC name is [2-(3-methoxy-4-methylpiperidin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-(3-methoxy-4-methylpiperidin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine
PubChem CID102968507
Molecular FormulaC14H25N3OS
Molecular Weight283.44 g/mol
Exact Mass283.17
IUPAC Name[2-(3-methoxy-4-methylpiperidin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine
SMILESCOC1CN(c2nc(C(C)C)c(CN)s2)CCC1C
InChIInChI=1S/C14H25N3OS/c1-9(2)13-12(7-15)19-14(16-13)17-6-5-10(3)11(8-17)18-4/h9-11H,5-8,15H2,1-4H3
InChIKeyGKAWPGMLGPMRNY-UHFFFAOYSA-N
XLogP2.59
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(3-methoxy-4-methylpiperidin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [2-(3-methoxy-4-methylpiperidin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine (CID 102968507) is [2-(3-methoxy-4-methylpiperidin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [2-(3-methoxy-4-methylpiperidin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [2-(3-methoxy-4-methylpiperidin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine is COC1CN(c2nc(C(C)C)c(CN)s2)CCC1C.
What is the InChIKey of [2-(3-methoxy-4-methylpiperidin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine?
The InChIKey is GKAWPGMLGPMRNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3OS/c1-9(2)13-12(7-15)19-14(16-13)17-6-5-10(3)11(8-17)18-4/h9-11H,5-8,15H2,1-4H3.
What are the key properties of [2-(3-methoxy-4-methylpiperidin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine?
[2-(3-methoxy-4-methylpiperidin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine has a molecular weight of 283.44 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methoxy-4-methylpiperidin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 102968507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).