ethyl 2-[2-[[(2R)-2-methyl-3-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanoyl]amino]-1,3-thiazol-4-yl]acetate

C19H20N4O4S2 — CID 52904256

IUPACethyl 2-[2-[[(2R)-2-methyl-3-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanoyl]amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)[C@H](C)Cn2nc(-c3cccs3)ccc2=O)n1
InChIInChI=1S/C19H20N4O4S2/c1-3-27-17(25)9-13-11-29-19(20-13)21-18(26)12(2)10-23-16(24)7-6-14(22-23)15-5-4-8-28-15/h4-8,11-12H,3,9-10H2,1-2H3,(H,20,21,26)/t12-/m1/s1
InChIKeyJYPFJJBUXRBYBF-GFCCVEGCSA-N
MW432.53 g/mol
LogP2.81
Rot. Bonds8

About ethyl 2-[2-[[(2R)-2-methyl-3-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanoyl]amino]-1,3-thiazol-4-yl]acetate

ethyl 2-[2-[[(2R)-2-methyl-3-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanoyl]amino]-1,3-thiazol-4-yl]acetate (PubChem CID 52904256) has the molecular formula C19H20N4O4S2 and a molecular weight of 432.53 g/mol. Its IUPAC name is ethyl 2-[2-[[(2R)-2-methyl-3-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanoyl]amino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[[(2R)-2-methyl-3-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanoyl]amino]-1,3-thiazol-4-yl]acetate
PubChem CID52904256
Molecular FormulaC19H20N4O4S2
Molecular Weight432.53 g/mol
Exact Mass432.09
IUPAC Nameethyl 2-[2-[[(2R)-2-methyl-3-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanoyl]amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)[C@H](C)Cn2nc(-c3cccs3)ccc2=O)n1
InChIInChI=1S/C19H20N4O4S2/c1-3-27-17(25)9-13-11-29-19(20-13)21-18(26)12(2)10-23-16(24)7-6-14(22-23)15-5-4-8-28-15/h4-8,11-12H,3,9-10H2,1-2H3,(H,20,21,26)/t12-/m1/s1
InChIKeyJYPFJJBUXRBYBF-GFCCVEGCSA-N
XLogP2.81
TPSA103.18 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.53
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze ethyl 2-[2-[[(2R)-2-methyl-3-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanoyl]amino]-1,3-thiazol-4-yl]acetate with MolForge

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Launch Full Analysis

Related Compounds

2-[[2-methyl-3-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanoyl]amino]benzamide
CID 52992139
ethyl 2-[2-[[(2S)-2-aminopropanoyl]amino]-1,3-thiazol-4-yl]acetate
CID 129010827
ethyl 2-[2-(2-aminopropanoylamino)-1,3-thiazol-4-yl]acetate;hydrochloride
CID 119262725
ethyl 2-[2-[2-(1,3-dioxoisoindol-2-yl)propanoylamino]-1,3-thiazol-4-yl]acetate
CID 3659980
ethyl 2-[2-[[(2S)-2-(1,3-dioxoisoindol-2-yl)propanoyl]amino]-1,3-thiazol-4-yl]acetate
CID 1180864
ethyl 2-[2-[[2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 41376514
ethyl 2-[2-[[3-(4-chloropyrazol-1-yl)-2-methylpropanoyl]amino]-1,3-thiazol-4-yl]acetate
CID 19570396
ethyl 2-[2-[[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 41376383
ethyl 2-[2-(2-phenoxypropanoylamino)-1,3-thiazol-4-yl]acetate
CID 3145095
ethyl 2-[2-[(5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carbonyl)amino]-1,3-thiazol-4-yl]acetate
CID 55719198
ethyl 2-[2-(2-phenylsulfanylpropanoylamino)-1,3-thiazol-4-yl]acetate
CID 23801603
ethyl 2-[2-[[(2S)-2-amino-4-methylpentanoyl]amino]-1,3-thiazol-4-yl]acetate
CID 119672769

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[[(2R)-2-methyl-3-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanoyl]amino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-[[(2R)-2-methyl-3-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanoyl]amino]-1,3-thiazol-4-yl]acetate (CID 52904256) is ethyl 2-[2-[[(2R)-2-methyl-3-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanoyl]amino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[[(2R)-2-methyl-3-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanoyl]amino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-[[(2R)-2-methyl-3-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanoyl]amino]-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(NC(=O)[C@H](C)Cn2nc(-c3cccs3)ccc2=O)n1.
What is the InChIKey of ethyl 2-[2-[[(2R)-2-methyl-3-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanoyl]amino]-1,3-thiazol-4-yl]acetate?
The InChIKey is JYPFJJBUXRBYBF-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H20N4O4S2/c1-3-27-17(25)9-13-11-29-19(20-13)21-18(26)12(2)10-23-16(24)7-6-14(22-23)15-5-4-8-28-15/h4-8,11-12H,3,9-10H2,1-2H3,(H,20,21,26)/t12-/m1/s1.
What are the key properties of ethyl 2-[2-[[(2R)-2-methyl-3-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanoyl]amino]-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-[[(2R)-2-methyl-3-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanoyl]amino]-1,3-thiazol-4-yl]acetate has a molecular weight of 432.53 g/mol, XLogP of 2.81, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[[(2R)-2-methyl-3-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanoyl]amino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 52904256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).