ethyl 2-[2-[[1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate

C22H24N6O3S — CID 121070786

IUPACethyl 2-[2-[[1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)C2CCCN(c3ccc(-c4ccncc4)nn3)C2)n1
InChIInChI=1S/C22H24N6O3S/c1-2-31-20(29)12-17-14-32-22(24-17)25-21(30)16-4-3-11-28(13-16)19-6-5-18(26-27-19)15-7-9-23-10-8-15/h5-10,14,16H,2-4,11-13H2,1H3,(H,24,25,30)
InChIKeySVSMKRHTMYIVRM-UHFFFAOYSA-N
MW452.54 g/mol
LogP2.96
Rot. Bonds7

About ethyl 2-[2-[[1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate

ethyl 2-[2-[[1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate (PubChem CID 121070786) has the molecular formula C22H24N6O3S and a molecular weight of 452.54 g/mol. Its IUPAC name is ethyl 2-[2-[[1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[[1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate
PubChem CID121070786
Molecular FormulaC22H24N6O3S
Molecular Weight452.54 g/mol
Exact Mass452.16
IUPAC Nameethyl 2-[2-[[1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)C2CCCN(c3ccc(-c4ccncc4)nn3)C2)n1
InChIInChI=1S/C22H24N6O3S/c1-2-31-20(29)12-17-14-32-22(24-17)25-21(30)16-4-3-11-28(13-16)19-6-5-18(26-27-19)15-7-9-23-10-8-15/h5-10,14,16H,2-4,11-13H2,1H3,(H,24,25,30)
InChIKeySVSMKRHTMYIVRM-UHFFFAOYSA-N
XLogP2.96
TPSA110.20 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.54
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze ethyl 2-[2-[[1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate with MolForge

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Related Compounds

ethyl 2-[2-[[(3R)-1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidine-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate
CID 30354368
N-pyridin-4-yl-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 121070781
ethyl 2-[2-[[1-[6-(furan-2-yl)pyridazin-3-yl]piperidine-4-carbonyl]amino]-1,3-thiazol-4-yl]acetate
CID 30866950
N-(3,5-dimethylphenyl)-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 121070841
ethyl 2-[2-(cyclopentanecarbonylamino)-1,3-thiazol-4-yl]acetate
CID 43405484
(3R)-1-[6-(4-fluorophenyl)pyridazin-3-yl]-N-pyridin-4-ylpiperidine-3-carboxamide
CID 30353337
N-(2,4-difluorophenyl)-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 121070816
1-(6-imidazol-1-ylpyridazin-3-yl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 90514767
N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 121070899
(3S)-N-(4-methoxyphenyl)-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 93055834
1-[6-(4-methylphenyl)pyridazin-3-yl]-N-phenylpiperidine-3-carboxamide
CID 53025060
N-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 121070850

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[[1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-[[1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate (CID 121070786) is ethyl 2-[2-[[1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[[1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-[[1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(NC(=O)C2CCCN(c3ccc(-c4ccncc4)nn3)C2)n1.
What is the InChIKey of ethyl 2-[2-[[1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate?
The InChIKey is SVSMKRHTMYIVRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O3S/c1-2-31-20(29)12-17-14-32-22(24-17)25-21(30)16-4-3-11-28(13-16)19-6-5-18(26-27-19)15-7-9-23-10-8-15/h5-10,14,16H,2-4,11-13H2,1H3,(H,24,25,30).
What are the key properties of ethyl 2-[2-[[1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-[[1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate has a molecular weight of 452.54 g/mol, XLogP of 2.96, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[[1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 121070786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).