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

C20H24N4O2S — CID 71840103

IUPAC2-(2-ethyl-7-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl)-N-[(4-propan-2-ylphenyl)methyl]acetamide
SMILESCCc1nc2c(=O)n(CC(=O)NCc3ccc(C(C)C)cc3)nc(C)c2s1
InChIInChI=1S/C20H24N4O2S/c1-5-17-22-18-19(27-17)13(4)23-24(20(18)26)11-16(25)21-10-14-6-8-15(9-7-14)12(2)3/h6-9,12H,5,10-11H2,1-4H3,(H,21,25)
InChIKeyUHGLALXHUPCGTO-UHFFFAOYSA-N
MW384.51 g/mol
LogP3.16
Rot. Bonds6

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

2-(2-ethyl-7-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl)-N-[(4-propan-2-ylphenyl)methyl]acetamide (PubChem CID 71840103) has the molecular formula C20H24N4O2S and a molecular weight of 384.51 g/mol. Its IUPAC name is 2-(2-ethyl-7-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl)-N-[(4-propan-2-ylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-ethyl-7-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl)-N-[(4-propan-2-ylphenyl)methyl]acetamide
PubChem CID71840103
Molecular FormulaC20H24N4O2S
Molecular Weight384.51 g/mol
Exact Mass384.16
IUPAC Name2-(2-ethyl-7-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl)-N-[(4-propan-2-ylphenyl)methyl]acetamide
SMILESCCc1nc2c(=O)n(CC(=O)NCc3ccc(C(C)C)cc3)nc(C)c2s1
InChIInChI=1S/C20H24N4O2S/c1-5-17-22-18-19(27-17)13(4)23-24(20(18)26)11-16(25)21-10-14-6-8-15(9-7-14)12(2)3/h6-9,12H,5,10-11H2,1-4H3,(H,21,25)
InChIKeyUHGLALXHUPCGTO-UHFFFAOYSA-N
XLogP3.16
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.51
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-methylbenzamide
CID 7222732
2-(4-tert-butylphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-5-propan-2-yl-1,3-thiazole-4-carboxamide
CID 44526063
2-(4-tert-butylphenyl)-5-ethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-4-carboxamide
CID 44526064
N-[(2,4-Difluorophenyl)methyl]-2-{7-methyl-4-oxo-2-phenyl-4H,5H-[1,3]thiazolo[4,5-D]pyridazin-5-YL}acetamide
CID 71840040
N-ethyl-2-[3-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]-4-oxophthalazin-1-yl]acetamide
CID 76287539
((2S)-2-(Aminomethyl)-1-piperidinyl)(5-(4-fluorophenyl)-2-methyl-4-thiazolyl)methanone
CID 118753289
N-(2-Methoxyethyl)-2-{7-methyl-4-oxo-2-phenyl-4H,5H-[1,3]thiazolo[4,5-D]pyridazin-5-YL}acetamide
CID 71840049
US10065972, Example 612
CID 124152850
US10065972, Example 614
CID 124153395
US10065972, Example 616
CID 124154970
N-(4-fluorophenyl)-2-(7-(4-fluorophenyl)-2-methyl-4-oxothiazolo[4,5-d]pyridazin-5(4H)-yl)acetamide
CID 16802326
N-(3-(3-(4-fluorophenyl)-6-oxopyridazin-1(6H)-yl)propyl)-4-methyl-2-phenylthiazole-5-carboxamide
CID 42138748

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-[(4-propan-2-ylphenyl)methyl]acetamide?
The IUPAC name of 2-(2-ethyl-7-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl)-N-[(4-propan-2-ylphenyl)methyl]acetamide (CID 71840103) is 2-(2-ethyl-7-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl)-N-[(4-propan-2-ylphenyl)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-[(4-propan-2-ylphenyl)methyl]acetamide?
The canonical SMILES for 2-(2-ethyl-7-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl)-N-[(4-propan-2-ylphenyl)methyl]acetamide is CCc1nc2c(=O)n(CC(=O)NCc3ccc(C(C)C)cc3)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-[(4-propan-2-ylphenyl)methyl]acetamide?
The InChIKey is UHGLALXHUPCGTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2S/c1-5-17-22-18-19(27-17)13(4)23-24(20(18)26)11-16(25)21-10-14-6-8-15(9-7-14)12(2)3/h6-9,12H,5,10-11H2,1-4H3,(H,21,25).
What are the key properties of 2-(2-ethyl-7-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl)-N-[(4-propan-2-ylphenyl)methyl]acetamide?
2-(2-ethyl-7-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl)-N-[(4-propan-2-ylphenyl)methyl]acetamide has a molecular weight of 384.51 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 6 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-[(4-propan-2-ylphenyl)methyl]acetamide is sourced from PubChem (CID 71840103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).