N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide

C23H24N8OS — CID 90601532

IUPACN-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide
SMILESO=C(NCCc1csc(-c2ccccc2)n1)C1CCN(c2ccc(-n3cncn3)nn2)CC1
InChIInChI=1S/C23H24N8OS/c32-22(25-11-8-19-14-33-23(27-19)18-4-2-1-3-5-18)17-9-12-30(13-10-17)20-6-7-21(29-28-20)31-16-24-15-26-31/h1-7,14-17H,8-13H2,(H,25,32)
InChIKeyWVEHSTGGZXHTRT-UHFFFAOYSA-N
MW460.57 g/mol
LogP2.76
Rot. Bonds7

About N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide

N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide (PubChem CID 90601532) has the molecular formula C23H24N8OS and a molecular weight of 460.57 g/mol. Its IUPAC name is N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide
PubChem CID90601532
Molecular FormulaC23H24N8OS
Molecular Weight460.57 g/mol
Exact Mass460.18
IUPAC NameN-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide
SMILESO=C(NCCc1csc(-c2ccccc2)n1)C1CCN(c2ccc(-n3cncn3)nn2)CC1
InChIInChI=1S/C23H24N8OS/c32-22(25-11-8-19-14-33-23(27-19)18-4-2-1-3-5-18)17-9-12-30(13-10-17)20-6-7-21(29-28-20)31-16-24-15-26-31/h1-7,14-17H,8-13H2,(H,25,32)
InChIKeyWVEHSTGGZXHTRT-UHFFFAOYSA-N
XLogP2.76
TPSA101.72 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.57
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-(2-methylpropyl)-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide
CID 90601280
N-(cyclopropylmethyl)-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide
CID 90601619
N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide
CID 119266960
N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide
CID 90601633
1-benzylsulfonyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide
CID 46390118
N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-3-carboxamide
CID 72719820
N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide
CID 90601582
N-(1H-indol-3-ylmethyl)-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide
CID 90601612
N-(2-pyridin-4-ylethyl)-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 90600551
N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1-(4-propylphenyl)sulfonylpiperidine-4-carboxamide
CID 46390108
N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-6-piperidin-1-ylpyridazine-3-carboxamide
CID 121028016
N-benzyl-N-phenyl-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide
CID 90601414

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide?
The IUPAC name of N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide (CID 90601532) is N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide?
The canonical SMILES for N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide is O=C(NCCc1csc(-c2ccccc2)n1)C1CCN(c2ccc(-n3cncn3)nn2)CC1.
What is the InChIKey of N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide?
The InChIKey is WVEHSTGGZXHTRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N8OS/c32-22(25-11-8-19-14-33-23(27-19)18-4-2-1-3-5-18)17-9-12-30(13-10-17)20-6-7-21(29-28-20)31-16-24-15-26-31/h1-7,14-17H,8-13H2,(H,25,32).
What are the key properties of N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide?
N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide has a molecular weight of 460.57 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide is sourced from PubChem (CID 90601532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).