2-(4-methyl-1,3-thiazol-5-yl)-2-(4-phenoxypiperidin-1-yl)ethanamine

C17H23N3OS — CID 118297265

IUPAC2-(4-methyl-1,3-thiazol-5-yl)-2-(4-phenoxypiperidin-1-yl)ethanamine
SMILESCc1ncsc1C(CN)N1CCC(Oc2ccccc2)CC1
InChIInChI=1S/C17H23N3OS/c1-13-17(22-12-19-13)16(11-18)20-9-7-15(8-10-20)21-14-5-3-2-4-6-14/h2-6,12,15-16H,7-11,18H2,1H3
InChIKeySFVHJKWGUVEAHS-UHFFFAOYSA-N
MW317.46 g/mol
LogP2.99
Rot. Bonds5

About 2-(4-methyl-1,3-thiazol-5-yl)-2-(4-phenoxypiperidin-1-yl)ethanamine

2-(4-methyl-1,3-thiazol-5-yl)-2-(4-phenoxypiperidin-1-yl)ethanamine (PubChem CID 118297265) has the molecular formula C17H23N3OS and a molecular weight of 317.46 g/mol. Its IUPAC name is 2-(4-methyl-1,3-thiazol-5-yl)-2-(4-phenoxypiperidin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(4-methyl-1,3-thiazol-5-yl)-2-(4-phenoxypiperidin-1-yl)ethanamine
PubChem CID118297265
Molecular FormulaC17H23N3OS
Molecular Weight317.46 g/mol
Exact Mass317.16
IUPAC Name2-(4-methyl-1,3-thiazol-5-yl)-2-(4-phenoxypiperidin-1-yl)ethanamine
SMILESCc1ncsc1C(CN)N1CCC(Oc2ccccc2)CC1
InChIInChI=1S/C17H23N3OS/c1-13-17(22-12-19-13)16(11-18)20-9-7-15(8-10-20)21-14-5-3-2-4-6-14/h2-6,12,15-16H,7-11,18H2,1H3
InChIKeySFVHJKWGUVEAHS-UHFFFAOYSA-N
XLogP2.99
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.46
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-1,3-thiazol-5-yl)-2-(4-phenoxypiperidin-1-yl)ethanamine?
The IUPAC name of 2-(4-methyl-1,3-thiazol-5-yl)-2-(4-phenoxypiperidin-1-yl)ethanamine (CID 118297265) is 2-(4-methyl-1,3-thiazol-5-yl)-2-(4-phenoxypiperidin-1-yl)ethanamine.
What is the SMILES notation for 2-(4-methyl-1,3-thiazol-5-yl)-2-(4-phenoxypiperidin-1-yl)ethanamine?
The canonical SMILES for 2-(4-methyl-1,3-thiazol-5-yl)-2-(4-phenoxypiperidin-1-yl)ethanamine is Cc1ncsc1C(CN)N1CCC(Oc2ccccc2)CC1.
What is the InChIKey of 2-(4-methyl-1,3-thiazol-5-yl)-2-(4-phenoxypiperidin-1-yl)ethanamine?
The InChIKey is SFVHJKWGUVEAHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3OS/c1-13-17(22-12-19-13)16(11-18)20-9-7-15(8-10-20)21-14-5-3-2-4-6-14/h2-6,12,15-16H,7-11,18H2,1H3.
What are the key properties of 2-(4-methyl-1,3-thiazol-5-yl)-2-(4-phenoxypiperidin-1-yl)ethanamine?
2-(4-methyl-1,3-thiazol-5-yl)-2-(4-phenoxypiperidin-1-yl)ethanamine has a molecular weight of 317.46 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-1,3-thiazol-5-yl)-2-(4-phenoxypiperidin-1-yl)ethanamine is sourced from PubChem (CID 118297265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).