N-[4-(2-phenylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide

C21H21N3OS — CID 87406366

IUPACN-[4-(2-phenylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
SMILESO=C(Nc1nc(-c2ccccc2-c2ccccc2)cs1)C1CCNCC1
InChIInChI=1S/C21H21N3OS/c25-20(16-10-12-22-13-11-16)24-21-23-19(14-26-21)18-9-5-4-8-17(18)15-6-2-1-3-7-15/h1-9,14,16,22H,10-13H2,(H,23,24,25)
InChIKeyMAZNPNGDFRFVCU-UHFFFAOYSA-N
MW363.49 g/mol
LogP4.42
Rot. Bonds4

About N-[4-(2-phenylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide

N-[4-(2-phenylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide (PubChem CID 87406366) has the molecular formula C21H21N3OS and a molecular weight of 363.49 g/mol. Its IUPAC name is N-[4-(2-phenylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(2-phenylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
PubChem CID87406366
Molecular FormulaC21H21N3OS
Molecular Weight363.49 g/mol
Exact Mass363.14
IUPAC NameN-[4-(2-phenylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
SMILESO=C(Nc1nc(-c2ccccc2-c2ccccc2)cs1)C1CCNCC1
InChIInChI=1S/C21H21N3OS/c25-20(16-10-12-22-13-11-16)24-21-23-19(14-26-21)18-9-5-4-8-17(18)15-6-2-1-3-7-15/h1-9,14,16,22H,10-13H2,(H,23,24,25)
InChIKeyMAZNPNGDFRFVCU-UHFFFAOYSA-N
XLogP4.42
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.49
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-phenylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide?
The IUPAC name of N-[4-(2-phenylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide (CID 87406366) is N-[4-(2-phenylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-[4-(2-phenylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide?
The canonical SMILES for N-[4-(2-phenylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide is O=C(Nc1nc(-c2ccccc2-c2ccccc2)cs1)C1CCNCC1.
What is the InChIKey of N-[4-(2-phenylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide?
The InChIKey is MAZNPNGDFRFVCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3OS/c25-20(16-10-12-22-13-11-16)24-21-23-19(14-26-21)18-9-5-4-8-17(18)15-6-2-1-3-7-15/h1-9,14,16,22H,10-13H2,(H,23,24,25).
What are the key properties of N-[4-(2-phenylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide?
N-[4-(2-phenylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide has a molecular weight of 363.49 g/mol, XLogP of 4.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-phenylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 87406366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).