2-phenyl-4-[4-(3-piperidin-1-ylpropoxy)phenyl]-1,3-thiazole;hydrochloride

C23H27ClN2OS — CID 14146330

IUPAC2-phenyl-4-[4-(3-piperidin-1-ylpropoxy)phenyl]-1,3-thiazole;hydrochloride
SMILESCl.c1ccc(-c2nc(-c3ccc(OCCCN4CCCCC4)cc3)cs2)cc1
InChIInChI=1S/C23H26N2OS.ClH/c1-3-8-20(9-4-1)23-24-22(18-27-23)19-10-12-21(13-11-19)26-17-7-16-25-14-5-2-6-15-25;/h1,3-4,8-13,18H,2,5-7,14-17H2;1H
InChIKeyQSSFWIFQXIOCKK-UHFFFAOYSA-N
MW415.00 g/mol
LogP6.15
Rot. Bonds7

About 2-phenyl-4-[4-(3-piperidin-1-ylpropoxy)phenyl]-1,3-thiazole;hydrochloride

2-phenyl-4-[4-(3-piperidin-1-ylpropoxy)phenyl]-1,3-thiazole;hydrochloride (PubChem CID 14146330) has the molecular formula C23H27ClN2OS and a molecular weight of 415.00 g/mol. Its IUPAC name is 2-phenyl-4-[4-(3-piperidin-1-ylpropoxy)phenyl]-1,3-thiazole;hydrochloride.

Molecular Properties

Compound Name2-phenyl-4-[4-(3-piperidin-1-ylpropoxy)phenyl]-1,3-thiazole;hydrochloride
PubChem CID14146330
Molecular FormulaC23H27ClN2OS
Molecular Weight415.00 g/mol
Exact Mass414.15
IUPAC Name2-phenyl-4-[4-(3-piperidin-1-ylpropoxy)phenyl]-1,3-thiazole;hydrochloride
SMILESCl.c1ccc(-c2nc(-c3ccc(OCCCN4CCCCC4)cc3)cs2)cc1
InChIInChI=1S/C23H26N2OS.ClH/c1-3-8-20(9-4-1)23-24-22(18-27-23)19-10-12-21(13-11-19)26-17-7-16-25-14-5-2-6-15-25;/h1,3-4,8-13,18H,2,5-7,14-17H2;1H
InChIKeyQSSFWIFQXIOCKK-UHFFFAOYSA-N
XLogP6.15
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.00
LogP ≤ 56.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-[4-(3-piperidin-1-ylpropoxy)phenyl]-1,3-thiazole;hydrochloride?
The IUPAC name of 2-phenyl-4-[4-(3-piperidin-1-ylpropoxy)phenyl]-1,3-thiazole;hydrochloride (CID 14146330) is 2-phenyl-4-[4-(3-piperidin-1-ylpropoxy)phenyl]-1,3-thiazole;hydrochloride.
What is the SMILES notation for 2-phenyl-4-[4-(3-piperidin-1-ylpropoxy)phenyl]-1,3-thiazole;hydrochloride?
The canonical SMILES for 2-phenyl-4-[4-(3-piperidin-1-ylpropoxy)phenyl]-1,3-thiazole;hydrochloride is Cl.c1ccc(-c2nc(-c3ccc(OCCCN4CCCCC4)cc3)cs2)cc1.
What is the InChIKey of 2-phenyl-4-[4-(3-piperidin-1-ylpropoxy)phenyl]-1,3-thiazole;hydrochloride?
The InChIKey is QSSFWIFQXIOCKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2OS.ClH/c1-3-8-20(9-4-1)23-24-22(18-27-23)19-10-12-21(13-11-19)26-17-7-16-25-14-5-2-6-15-25;/h1,3-4,8-13,18H,2,5-7,14-17H2;1H.
What are the key properties of 2-phenyl-4-[4-(3-piperidin-1-ylpropoxy)phenyl]-1,3-thiazole;hydrochloride?
2-phenyl-4-[4-(3-piperidin-1-ylpropoxy)phenyl]-1,3-thiazole;hydrochloride has a molecular weight of 415.00 g/mol, XLogP of 6.15, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-[4-(3-piperidin-1-ylpropoxy)phenyl]-1,3-thiazole;hydrochloride is sourced from PubChem (CID 14146330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).