1-[6-(4-methoxyphenyl)pyridazin-3-yl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide

C21H23N5O2S — CID 30866709

IUPAC1-[6-(4-methoxyphenyl)pyridazin-3-yl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
SMILESCOc1ccc(-c2ccc(N3CCC(C(=O)Nc4nc(C)cs4)CC3)nn2)cc1
InChIInChI=1S/C21H23N5O2S/c1-14-13-29-21(22-14)23-20(27)16-9-11-26(12-10-16)19-8-7-18(24-25-19)15-3-5-17(28-2)6-4-15/h3-8,13,16H,9-12H2,1-2H3,(H,22,23,27)
InChIKeyNBHYCMVJBIBEFX-UHFFFAOYSA-N
MW409.52 g/mol
LogP3.77
Rot. Bonds5

About 1-[6-(4-methoxyphenyl)pyridazin-3-yl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide

1-[6-(4-methoxyphenyl)pyridazin-3-yl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide (PubChem CID 30866709) has the molecular formula C21H23N5O2S and a molecular weight of 409.52 g/mol. Its IUPAC name is 1-[6-(4-methoxyphenyl)pyridazin-3-yl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[6-(4-methoxyphenyl)pyridazin-3-yl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
PubChem CID30866709
Molecular FormulaC21H23N5O2S
Molecular Weight409.52 g/mol
Exact Mass409.16
IUPAC Name1-[6-(4-methoxyphenyl)pyridazin-3-yl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
SMILESCOc1ccc(-c2ccc(N3CCC(C(=O)Nc4nc(C)cs4)CC3)nn2)cc1
InChIInChI=1S/C21H23N5O2S/c1-14-13-29-21(22-14)23-20(27)16-9-11-26(12-10-16)19-8-7-18(24-25-19)15-3-5-17(28-2)6-4-15/h3-8,13,16H,9-12H2,1-2H3,(H,22,23,27)
InChIKeyNBHYCMVJBIBEFX-UHFFFAOYSA-N
XLogP3.77
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.52
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(4-methoxyphenyl)pyridazin-3-yl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide?
The IUPAC name of 1-[6-(4-methoxyphenyl)pyridazin-3-yl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide (CID 30866709) is 1-[6-(4-methoxyphenyl)pyridazin-3-yl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[6-(4-methoxyphenyl)pyridazin-3-yl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-[6-(4-methoxyphenyl)pyridazin-3-yl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide is COc1ccc(-c2ccc(N3CCC(C(=O)Nc4nc(C)cs4)CC3)nn2)cc1.
What is the InChIKey of 1-[6-(4-methoxyphenyl)pyridazin-3-yl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide?
The InChIKey is NBHYCMVJBIBEFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2S/c1-14-13-29-21(22-14)23-20(27)16-9-11-26(12-10-16)19-8-7-18(24-25-19)15-3-5-17(28-2)6-4-15/h3-8,13,16H,9-12H2,1-2H3,(H,22,23,27).
What are the key properties of 1-[6-(4-methoxyphenyl)pyridazin-3-yl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide?
1-[6-(4-methoxyphenyl)pyridazin-3-yl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide has a molecular weight of 409.52 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(4-methoxyphenyl)pyridazin-3-yl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 30866709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).