phenyl-(4-phenyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methanone

C21H20N2OS — CID 4968501

IUPACphenyl-(4-phenyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methanone
SMILESO=C(c1ccccc1)c1sc(N2CCCCC2)nc1-c1ccccc1
InChIInChI=1S/C21H20N2OS/c24-19(17-12-6-2-7-13-17)20-18(16-10-4-1-5-11-16)22-21(25-20)23-14-8-3-9-15-23/h1-2,4-7,10-13H,3,8-9,14-15H2
InChIKeyIGFMHGPIWUQGKF-UHFFFAOYSA-N
MW348.47 g/mol
LogP5.03
Rot. Bonds4

About phenyl-(4-phenyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methanone

phenyl-(4-phenyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methanone (PubChem CID 4968501) has the molecular formula C21H20N2OS and a molecular weight of 348.47 g/mol. Its IUPAC name is phenyl-(4-phenyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methanone.

Molecular Properties

Compound Namephenyl-(4-phenyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methanone
PubChem CID4968501
Molecular FormulaC21H20N2OS
Molecular Weight348.47 g/mol
Exact Mass348.13
IUPAC Namephenyl-(4-phenyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methanone
SMILESO=C(c1ccccc1)c1sc(N2CCCCC2)nc1-c1ccccc1
InChIInChI=1S/C21H20N2OS/c24-19(17-12-6-2-7-13-17)20-18(16-10-4-1-5-11-16)22-21(25-20)23-14-8-3-9-15-23/h1-2,4-7,10-13H,3,8-9,14-15H2
InChIKeyIGFMHGPIWUQGKF-UHFFFAOYSA-N
XLogP5.03
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.47
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of phenyl-(4-phenyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methanone?
The IUPAC name of phenyl-(4-phenyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methanone (CID 4968501) is phenyl-(4-phenyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methanone.
What is the SMILES notation for phenyl-(4-phenyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methanone?
The canonical SMILES for phenyl-(4-phenyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methanone is O=C(c1ccccc1)c1sc(N2CCCCC2)nc1-c1ccccc1.
What is the InChIKey of phenyl-(4-phenyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methanone?
The InChIKey is IGFMHGPIWUQGKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2OS/c24-19(17-12-6-2-7-13-17)20-18(16-10-4-1-5-11-16)22-21(25-20)23-14-8-3-9-15-23/h1-2,4-7,10-13H,3,8-9,14-15H2.
What are the key properties of phenyl-(4-phenyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methanone?
phenyl-(4-phenyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methanone has a molecular weight of 348.47 g/mol, XLogP of 5.03, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-(4-phenyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methanone is sourced from PubChem (CID 4968501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).