N-[4-(3-cyanophenyl)-5-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-2-yl]-4-(1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide

C25H23N7O2S — CID 162688048

IUPACN-[4-(3-cyanophenyl)-5-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-2-yl]-4-(1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
SMILESCc1cc(-c2sc(NC(=O)N3CCC(c4ncno4)CC3)nc2-c2cccc(C#N)c2)cc(C)n1
InChIInChI=1S/C25H23N7O2S/c1-15-10-20(11-16(2)29-15)22-21(19-5-3-4-17(12-19)13-26)30-24(35-22)31-25(33)32-8-6-18(7-9-32)23-27-14-28-34-23/h3-5,10-12,14,18H,6-9H2,1-2H3,(H,30,31,33)
InChIKeyVMWUHBIWLLSDRL-UHFFFAOYSA-N
MW485.57 g/mol
LogP5.16
Rot. Bonds4

About N-[4-(3-cyanophenyl)-5-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-2-yl]-4-(1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide

N-[4-(3-cyanophenyl)-5-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-2-yl]-4-(1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide (PubChem CID 162688048) has the molecular formula C25H23N7O2S and a molecular weight of 485.57 g/mol. Its IUPAC name is N-[4-(3-cyanophenyl)-5-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-2-yl]-4-(1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[4-(3-cyanophenyl)-5-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-2-yl]-4-(1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
PubChem CID162688048
Molecular FormulaC25H23N7O2S
Molecular Weight485.57 g/mol
Exact Mass485.16
IUPAC NameN-[4-(3-cyanophenyl)-5-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-2-yl]-4-(1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
SMILESCc1cc(-c2sc(NC(=O)N3CCC(c4ncno4)CC3)nc2-c2cccc(C#N)c2)cc(C)n1
InChIInChI=1S/C25H23N7O2S/c1-15-10-20(11-16(2)29-15)22-21(19-5-3-4-17(12-19)13-26)30-24(35-22)31-25(33)32-8-6-18(7-9-32)23-27-14-28-34-23/h3-5,10-12,14,18H,6-9H2,1-2H3,(H,30,31,33)
InChIKeyVMWUHBIWLLSDRL-UHFFFAOYSA-N
XLogP5.16
TPSA120.83 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.57
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3-cyanophenyl)-5-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-2-yl]-4-(1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
The IUPAC name of N-[4-(3-cyanophenyl)-5-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-2-yl]-4-(1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide (CID 162688048) is N-[4-(3-cyanophenyl)-5-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-2-yl]-4-(1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-[4-(3-cyanophenyl)-5-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-2-yl]-4-(1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
The canonical SMILES for N-[4-(3-cyanophenyl)-5-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-2-yl]-4-(1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide is Cc1cc(-c2sc(NC(=O)N3CCC(c4ncno4)CC3)nc2-c2cccc(C#N)c2)cc(C)n1.
What is the InChIKey of N-[4-(3-cyanophenyl)-5-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-2-yl]-4-(1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
The InChIKey is VMWUHBIWLLSDRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N7O2S/c1-15-10-20(11-16(2)29-15)22-21(19-5-3-4-17(12-19)13-26)30-24(35-22)31-25(33)32-8-6-18(7-9-32)23-27-14-28-34-23/h3-5,10-12,14,18H,6-9H2,1-2H3,(H,30,31,33).
What are the key properties of N-[4-(3-cyanophenyl)-5-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-2-yl]-4-(1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
N-[4-(3-cyanophenyl)-5-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-2-yl]-4-(1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide has a molecular weight of 485.57 g/mol, XLogP of 5.16, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-cyanophenyl)-5-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-2-yl]-4-(1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide is sourced from PubChem (CID 162688048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).