2-(4-ethoxyphenyl)-4-(piperidin-1-ylmethyl)-1,3-thiazole

C17H22N2OS — CID 7998816

IUPAC2-(4-ethoxyphenyl)-4-(piperidin-1-ylmethyl)-1,3-thiazole
SMILESCCOc1ccc(-c2nc(CN3CCCCC3)cs2)cc1
InChIInChI=1S/C17H22N2OS/c1-2-20-16-8-6-14(7-9-16)17-18-15(13-21-17)12-19-10-4-3-5-11-19/h6-9,13H,2-5,10-12H2,1H3
InChIKeyPWXNRUYPZHYKAO-UHFFFAOYSA-N
MW302.44 g/mol
LogP4.19
Rot. Bonds5

About 2-(4-ethoxyphenyl)-4-(piperidin-1-ylmethyl)-1,3-thiazole

2-(4-ethoxyphenyl)-4-(piperidin-1-ylmethyl)-1,3-thiazole (PubChem CID 7998816) has the molecular formula C17H22N2OS and a molecular weight of 302.44 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-4-(piperidin-1-ylmethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-4-(piperidin-1-ylmethyl)-1,3-thiazole
PubChem CID7998816
Molecular FormulaC17H22N2OS
Molecular Weight302.44 g/mol
Exact Mass302.15
IUPAC Name2-(4-ethoxyphenyl)-4-(piperidin-1-ylmethyl)-1,3-thiazole
SMILESCCOc1ccc(-c2nc(CN3CCCCC3)cs2)cc1
InChIInChI=1S/C17H22N2OS/c1-2-20-16-8-6-14(7-9-16)17-18-15(13-21-17)12-19-10-4-3-5-11-19/h6-9,13H,2-5,10-12H2,1H3
InChIKeyPWXNRUYPZHYKAO-UHFFFAOYSA-N
XLogP4.19
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-4-(piperidin-1-ylmethyl)-1,3-thiazole?
The IUPAC name of 2-(4-ethoxyphenyl)-4-(piperidin-1-ylmethyl)-1,3-thiazole (CID 7998816) is 2-(4-ethoxyphenyl)-4-(piperidin-1-ylmethyl)-1,3-thiazole.
What is the SMILES notation for 2-(4-ethoxyphenyl)-4-(piperidin-1-ylmethyl)-1,3-thiazole?
The canonical SMILES for 2-(4-ethoxyphenyl)-4-(piperidin-1-ylmethyl)-1,3-thiazole is CCOc1ccc(-c2nc(CN3CCCCC3)cs2)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-4-(piperidin-1-ylmethyl)-1,3-thiazole?
The InChIKey is PWXNRUYPZHYKAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2OS/c1-2-20-16-8-6-14(7-9-16)17-18-15(13-21-17)12-19-10-4-3-5-11-19/h6-9,13H,2-5,10-12H2,1H3.
What are the key properties of 2-(4-ethoxyphenyl)-4-(piperidin-1-ylmethyl)-1,3-thiazole?
2-(4-ethoxyphenyl)-4-(piperidin-1-ylmethyl)-1,3-thiazole has a molecular weight of 302.44 g/mol, XLogP of 4.19, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-4-(piperidin-1-ylmethyl)-1,3-thiazole is sourced from PubChem (CID 7998816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).