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

C22H21N5O5S — CID 42100005

IUPAC2-[7-(furan-2-yl)-2-morpholin-4-yl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)Cn1nc(-c2ccco2)c2sc(N3CCOCC3)nc2c1=O
InChIInChI=1S/C22H21N5O5S/c1-30-15-6-3-2-5-14(15)23-17(28)13-27-21(29)19-20(18(25-27)16-7-4-10-32-16)33-22(24-19)26-8-11-31-12-9-26/h2-7,10H,8-9,11-13H2,1H3,(H,23,28)
InChIKeyZOZYCYXNAKTFIA-UHFFFAOYSA-N
MW467.51 g/mol
LogP2.60
Rot. Bonds6

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

2-[7-(furan-2-yl)-2-morpholin-4-yl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]-N-(2-methoxyphenyl)acetamide (PubChem CID 42100005) has the molecular formula C22H21N5O5S and a molecular weight of 467.51 g/mol. Its IUPAC name is 2-[7-(furan-2-yl)-2-morpholin-4-yl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]-N-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[7-(furan-2-yl)-2-morpholin-4-yl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]-N-(2-methoxyphenyl)acetamide
PubChem CID42100005
Molecular FormulaC22H21N5O5S
Molecular Weight467.51 g/mol
Exact Mass467.13
IUPAC Name2-[7-(furan-2-yl)-2-morpholin-4-yl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)Cn1nc(-c2ccco2)c2sc(N3CCOCC3)nc2c1=O
InChIInChI=1S/C22H21N5O5S/c1-30-15-6-3-2-5-14(15)23-17(28)13-27-21(29)19-20(18(25-27)16-7-4-10-32-16)33-22(24-19)26-8-11-31-12-9-26/h2-7,10H,8-9,11-13H2,1H3,(H,23,28)
InChIKeyZOZYCYXNAKTFIA-UHFFFAOYSA-N
XLogP2.60
TPSA111.72 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.51
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 2-[7-(furan-2-yl)-2-morpholin-4-yl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]-N-(2-methoxyphenyl)acetamide?
The IUPAC name of 2-[7-(furan-2-yl)-2-morpholin-4-yl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]-N-(2-methoxyphenyl)acetamide (CID 42100005) is 2-[7-(furan-2-yl)-2-morpholin-4-yl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]-N-(2-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[7-(furan-2-yl)-2-morpholin-4-yl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]-N-(2-methoxyphenyl)acetamide?
The canonical SMILES for 2-[7-(furan-2-yl)-2-morpholin-4-yl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]-N-(2-methoxyphenyl)acetamide is COc1ccccc1NC(=O)Cn1nc(-c2ccco2)c2sc(N3CCOCC3)nc2c1=O.
What is the InChIKey of 2-[7-(furan-2-yl)-2-morpholin-4-yl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]-N-(2-methoxyphenyl)acetamide?
The InChIKey is ZOZYCYXNAKTFIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O5S/c1-30-15-6-3-2-5-14(15)23-17(28)13-27-21(29)19-20(18(25-27)16-7-4-10-32-16)33-22(24-19)26-8-11-31-12-9-26/h2-7,10H,8-9,11-13H2,1H3,(H,23,28).
What are the key properties of 2-[7-(furan-2-yl)-2-morpholin-4-yl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]-N-(2-methoxyphenyl)acetamide?
2-[7-(furan-2-yl)-2-morpholin-4-yl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]-N-(2-methoxyphenyl)acetamide has a molecular weight of 467.51 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(furan-2-yl)-2-morpholin-4-yl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]-N-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 42100005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).