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

C21H23N5O4S — CID 30866950

IUPACethyl 2-[2-[[1-[6-(furan-2-yl)pyridazin-3-yl]piperidine-4-carbonyl]amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)C2CCN(c3ccc(-c4ccco4)nn3)CC2)n1
InChIInChI=1S/C21H23N5O4S/c1-2-29-19(27)12-15-13-31-21(22-15)23-20(28)14-7-9-26(10-8-14)18-6-5-16(24-25-18)17-4-3-11-30-17/h3-6,11,13-14H,2,7-10,12H2,1H3,(H,22,23,28)
InChIKeyPTPRXZUHIMIUIG-UHFFFAOYSA-N
MW441.51 g/mol
LogP3.15
Rot. Bonds7

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

ethyl 2-[2-[[1-[6-(furan-2-yl)pyridazin-3-yl]piperidine-4-carbonyl]amino]-1,3-thiazol-4-yl]acetate (PubChem CID 30866950) has the molecular formula C21H23N5O4S and a molecular weight of 441.51 g/mol. Its IUPAC name is ethyl 2-[2-[[1-[6-(furan-2-yl)pyridazin-3-yl]piperidine-4-carbonyl]amino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[[1-[6-(furan-2-yl)pyridazin-3-yl]piperidine-4-carbonyl]amino]-1,3-thiazol-4-yl]acetate
PubChem CID30866950
Molecular FormulaC21H23N5O4S
Molecular Weight441.51 g/mol
Exact Mass441.15
IUPAC Nameethyl 2-[2-[[1-[6-(furan-2-yl)pyridazin-3-yl]piperidine-4-carbonyl]amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)C2CCN(c3ccc(-c4ccco4)nn3)CC2)n1
InChIInChI=1S/C21H23N5O4S/c1-2-29-19(27)12-15-13-31-21(22-15)23-20(28)14-7-9-26(10-8-14)18-6-5-16(24-25-18)17-4-3-11-30-17/h3-6,11,13-14H,2,7-10,12H2,1H3,(H,22,23,28)
InChIKeyPTPRXZUHIMIUIG-UHFFFAOYSA-N
XLogP3.15
TPSA110.45 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.51
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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

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Related Compounds

ethyl 2-[2-[[1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate
CID 121070786
ethyl 2-[2-[[(3R)-1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidine-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate
CID 30354368
N-(4-carbamoylphenyl)-1-[6-(furan-2-yl)pyridazin-3-yl]piperidine-4-carboxamide
CID 30364254
ethyl 2-[2-(cyclopentanecarbonylamino)-1,3-thiazol-4-yl]acetate
CID 43405484
N-(3,4-dimethylphenyl)-1-[6-(furan-2-yl)pyridazin-3-yl]piperidine-4-carboxamide
CID 30364463
N-(4-bromophenyl)-1-[6-(furan-2-yl)pyridazin-3-yl]piperidine-4-carboxamide
CID 30364520
1-[6-(furan-2-yl)pyridazin-3-yl]-N-[2-(trifluoromethoxy)phenyl]piperidine-4-carboxamide
CID 121071725
ethyl 2-[[1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidine-4-carbonyl]amino]-1,3-thiazole-4-carboxylate
CID 30361202
tert-butyl 4-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]carbamoyl]piperidine-1-carboxylate
CID 46524628
N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-1-[6-(furan-2-yl)pyridazin-3-yl]piperidine-4-carboxamide
CID 121123779
1-[6-(furan-2-yl)pyridazin-3-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 30364305
ethyl 2-[2-(piperidine-4-carbonylamino)-1,3-thiazol-4-yl]acetate;hydrochloride
CID 119262721

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[[1-[6-(furan-2-yl)pyridazin-3-yl]piperidine-4-carbonyl]amino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-[[1-[6-(furan-2-yl)pyridazin-3-yl]piperidine-4-carbonyl]amino]-1,3-thiazol-4-yl]acetate (CID 30866950) is ethyl 2-[2-[[1-[6-(furan-2-yl)pyridazin-3-yl]piperidine-4-carbonyl]amino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[[1-[6-(furan-2-yl)pyridazin-3-yl]piperidine-4-carbonyl]amino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-[[1-[6-(furan-2-yl)pyridazin-3-yl]piperidine-4-carbonyl]amino]-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(NC(=O)C2CCN(c3ccc(-c4ccco4)nn3)CC2)n1.
What is the InChIKey of ethyl 2-[2-[[1-[6-(furan-2-yl)pyridazin-3-yl]piperidine-4-carbonyl]amino]-1,3-thiazol-4-yl]acetate?
The InChIKey is PTPRXZUHIMIUIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O4S/c1-2-29-19(27)12-15-13-31-21(22-15)23-20(28)14-7-9-26(10-8-14)18-6-5-16(24-25-18)17-4-3-11-30-17/h3-6,11,13-14H,2,7-10,12H2,1H3,(H,22,23,28).
What are the key properties of ethyl 2-[2-[[1-[6-(furan-2-yl)pyridazin-3-yl]piperidine-4-carbonyl]amino]-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-[[1-[6-(furan-2-yl)pyridazin-3-yl]piperidine-4-carbonyl]amino]-1,3-thiazol-4-yl]acetate has a molecular weight of 441.51 g/mol, XLogP of 3.15, 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-(furan-2-yl)pyridazin-3-yl]piperidine-4-carbonyl]amino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 30866950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).