1-(2-methoxyethyl)-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]piperidin-4-amine

C19H27N3OS — CID 136551897

IUPAC1-(2-methoxyethyl)-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]piperidin-4-amine
SMILESCOCCN1CCC(NCc2ccc(-c3scnc3C)cc2)CC1
InChIInChI=1S/C19H27N3OS/c1-15-19(24-14-21-15)17-5-3-16(4-6-17)13-20-18-7-9-22(10-8-18)11-12-23-2/h3-6,14,18,20H,7-13H2,1-2H3
InChIKeyJGQIRAORBFEXEG-UHFFFAOYSA-N
MW345.51 g/mol
LogP3.32
Rot. Bonds7

About 1-(2-methoxyethyl)-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]piperidin-4-amine

1-(2-methoxyethyl)-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]piperidin-4-amine (PubChem CID 136551897) has the molecular formula C19H27N3OS and a molecular weight of 345.51 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-(2-methoxyethyl)-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]piperidin-4-amine
PubChem CID136551897
Molecular FormulaC19H27N3OS
Molecular Weight345.51 g/mol
Exact Mass345.19
IUPAC Name1-(2-methoxyethyl)-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]piperidin-4-amine
SMILESCOCCN1CCC(NCc2ccc(-c3scnc3C)cc2)CC1
InChIInChI=1S/C19H27N3OS/c1-15-19(24-14-21-15)17-5-3-16(4-6-17)13-20-18-7-9-22(10-8-18)11-12-23-2/h3-6,14,18,20H,7-13H2,1-2H3
InChIKeyJGQIRAORBFEXEG-UHFFFAOYSA-N
XLogP3.32
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.51
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]piperidin-4-amine?
The IUPAC name of 1-(2-methoxyethyl)-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]piperidin-4-amine (CID 136551897) is 1-(2-methoxyethyl)-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]piperidin-4-amine.
What is the SMILES notation for 1-(2-methoxyethyl)-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]piperidin-4-amine?
The canonical SMILES for 1-(2-methoxyethyl)-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]piperidin-4-amine is COCCN1CCC(NCc2ccc(-c3scnc3C)cc2)CC1.
What is the InChIKey of 1-(2-methoxyethyl)-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]piperidin-4-amine?
The InChIKey is JGQIRAORBFEXEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3OS/c1-15-19(24-14-21-15)17-5-3-16(4-6-17)13-20-18-7-9-22(10-8-18)11-12-23-2/h3-6,14,18,20H,7-13H2,1-2H3.
What are the key properties of 1-(2-methoxyethyl)-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]piperidin-4-amine?
1-(2-methoxyethyl)-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]piperidin-4-amine has a molecular weight of 345.51 g/mol, XLogP of 3.32, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]piperidin-4-amine is sourced from PubChem (CID 136551897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).