2-(2-ethyl-7-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl)-N-[(2-methoxyphenyl)methyl]acetamide

C18H20N4O3S — CID 71840165

IUPAC2-(2-ethyl-7-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl)-N-[(2-methoxyphenyl)methyl]acetamide
SMILESCCc1nc2c(=O)n(CC(=O)NCc3ccccc3OC)nc(C)c2s1
InChIInChI=1S/C18H20N4O3S/c1-4-15-20-16-17(26-15)11(2)21-22(18(16)24)10-14(23)19-9-12-7-5-6-8-13(12)25-3/h5-8H,4,9-10H2,1-3H3,(H,19,23)
InChIKeyZNLXFRYUBZTAIV-UHFFFAOYSA-N
MW372.45 g/mol
LogP2.05
Rot. Bonds6

About 2-(2-ethyl-7-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl)-N-[(2-methoxyphenyl)methyl]acetamide

2-(2-ethyl-7-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl)-N-[(2-methoxyphenyl)methyl]acetamide (PubChem CID 71840165) has the molecular formula C18H20N4O3S and a molecular weight of 372.45 g/mol. Its IUPAC name is 2-(2-ethyl-7-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl)-N-[(2-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-ethyl-7-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl)-N-[(2-methoxyphenyl)methyl]acetamide
PubChem CID71840165
Molecular FormulaC18H20N4O3S
Molecular Weight372.45 g/mol
Exact Mass372.13
IUPAC Name2-(2-ethyl-7-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl)-N-[(2-methoxyphenyl)methyl]acetamide
SMILESCCc1nc2c(=O)n(CC(=O)NCc3ccccc3OC)nc(C)c2s1
InChIInChI=1S/C18H20N4O3S/c1-4-15-20-16-17(26-15)11(2)21-22(18(16)24)10-14(23)19-9-12-7-5-6-8-13(12)25-3/h5-8H,4,9-10H2,1-3H3,(H,19,23)
InChIKeyZNLXFRYUBZTAIV-UHFFFAOYSA-N
XLogP2.05
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 10253234
N-ethyl-N-[3-(4-fluorophenoxy)propyl]-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide
CID 11960929
N-[(2-methoxyphenyl)methyl]-2-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 1472640
3-methoxy-2-methyl-N-[[(2S,3R)-3-methyl-1-(2-methyl-5-phenyl-1,3-thiazole-4-carbonyl)piperidin-2-yl]methyl]benzamide
CID 70683742
3-fluoro-N-[[1-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-6-methylpiperidin-2-yl]methyl]-2-methoxybenzamide
CID 71715448
5-Thiazolecarboxamide, N,4-dimethyl-2-(2-methoxyphenyl)-
CID 3068073
5-Thiazolecarboxamide, 2-(2-methoxyphenyl)-4-methyl-N-propyl-
CID 3068074
7-(3,4-dimethoxyphenyl)-5-(2-fluorobenzyl)-2-methylthiazolo[4,5-d]pyridazin-4(5H)-one
CID 16906389
N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2-[1-[(4-methoxy-3-methylphenyl)methyl]-3-oxopiperazin-2-yl]acetamide
CID 24793453
2-(7-(4-fluorophenyl)-2-methyl-4-oxothiazolo[4,5-d]pyridazin-5(4H)-yl)-N-(4-methoxyphenyl)acetamide
CID 16802329
2-chloro-N-[2-(4-methoxyphenyl)-2-oxoethyl]-5-(propan-2-yl)-1,3-thiazole-4-carboxamide
CID 71710036
2-[2-(2-methoxyphenyl)ethynyl]-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridin-4-one
CID 71712439

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-7-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl)-N-[(2-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-(2-ethyl-7-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl)-N-[(2-methoxyphenyl)methyl]acetamide (CID 71840165) is 2-(2-ethyl-7-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl)-N-[(2-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-(2-ethyl-7-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl)-N-[(2-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-(2-ethyl-7-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl)-N-[(2-methoxyphenyl)methyl]acetamide is CCc1nc2c(=O)n(CC(=O)NCc3ccccc3OC)nc(C)c2s1.
What is the InChIKey of 2-(2-ethyl-7-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl)-N-[(2-methoxyphenyl)methyl]acetamide?
The InChIKey is ZNLXFRYUBZTAIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3S/c1-4-15-20-16-17(26-15)11(2)21-22(18(16)24)10-14(23)19-9-12-7-5-6-8-13(12)25-3/h5-8H,4,9-10H2,1-3H3,(H,19,23).
What are the key properties of 2-(2-ethyl-7-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl)-N-[(2-methoxyphenyl)methyl]acetamide?
2-(2-ethyl-7-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl)-N-[(2-methoxyphenyl)methyl]acetamide has a molecular weight of 372.45 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-7-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl)-N-[(2-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 71840165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).