3-(2-piperidin-1-ylethoxy)-N-(1,3-thiazol-4-ylmethyl)aniline

C17H23N3OS — CID 75385378

IUPAC3-(2-piperidin-1-ylethoxy)-N-(1,3-thiazol-4-ylmethyl)aniline
SMILESc1cc(NCc2cscn2)cc(OCCN2CCCCC2)c1
InChIInChI=1S/C17H23N3OS/c1-2-7-20(8-3-1)9-10-21-17-6-4-5-15(11-17)18-12-16-13-22-14-19-16/h4-6,11,13-14,18H,1-3,7-10,12H2
InChIKeyRSGQTWFDMIDBQN-UHFFFAOYSA-N
MW317.46 g/mol
LogP3.62
Rot. Bonds7

About 3-(2-piperidin-1-ylethoxy)-N-(1,3-thiazol-4-ylmethyl)aniline

3-(2-piperidin-1-ylethoxy)-N-(1,3-thiazol-4-ylmethyl)aniline (PubChem CID 75385378) has the molecular formula C17H23N3OS and a molecular weight of 317.46 g/mol. Its IUPAC name is 3-(2-piperidin-1-ylethoxy)-N-(1,3-thiazol-4-ylmethyl)aniline.

Molecular Properties

Compound Name3-(2-piperidin-1-ylethoxy)-N-(1,3-thiazol-4-ylmethyl)aniline
PubChem CID75385378
Molecular FormulaC17H23N3OS
Molecular Weight317.46 g/mol
Exact Mass317.16
IUPAC Name3-(2-piperidin-1-ylethoxy)-N-(1,3-thiazol-4-ylmethyl)aniline
SMILESc1cc(NCc2cscn2)cc(OCCN2CCCCC2)c1
InChIInChI=1S/C17H23N3OS/c1-2-7-20(8-3-1)9-10-21-17-6-4-5-15(11-17)18-12-16-13-22-14-19-16/h4-6,11,13-14,18H,1-3,7-10,12H2
InChIKeyRSGQTWFDMIDBQN-UHFFFAOYSA-N
XLogP3.62
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.46
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-piperidin-1-ylethoxy)-N-(1,3-thiazol-4-ylmethyl)aniline?
The IUPAC name of 3-(2-piperidin-1-ylethoxy)-N-(1,3-thiazol-4-ylmethyl)aniline (CID 75385378) is 3-(2-piperidin-1-ylethoxy)-N-(1,3-thiazol-4-ylmethyl)aniline.
What is the SMILES notation for 3-(2-piperidin-1-ylethoxy)-N-(1,3-thiazol-4-ylmethyl)aniline?
The canonical SMILES for 3-(2-piperidin-1-ylethoxy)-N-(1,3-thiazol-4-ylmethyl)aniline is c1cc(NCc2cscn2)cc(OCCN2CCCCC2)c1.
What is the InChIKey of 3-(2-piperidin-1-ylethoxy)-N-(1,3-thiazol-4-ylmethyl)aniline?
The InChIKey is RSGQTWFDMIDBQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3OS/c1-2-7-20(8-3-1)9-10-21-17-6-4-5-15(11-17)18-12-16-13-22-14-19-16/h4-6,11,13-14,18H,1-3,7-10,12H2.
What are the key properties of 3-(2-piperidin-1-ylethoxy)-N-(1,3-thiazol-4-ylmethyl)aniline?
3-(2-piperidin-1-ylethoxy)-N-(1,3-thiazol-4-ylmethyl)aniline has a molecular weight of 317.46 g/mol, XLogP of 3.62, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-piperidin-1-ylethoxy)-N-(1,3-thiazol-4-ylmethyl)aniline is sourced from PubChem (CID 75385378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).