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

C21H18FN5O4S — CID 42100001

IUPACN-(2-fluorophenyl)-2-[7-(furan-2-yl)-2-morpholin-4-yl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide
SMILESO=C(Cn1nc(-c2ccco2)c2sc(N3CCOCC3)nc2c1=O)Nc1ccccc1F
InChIInChI=1S/C21H18FN5O4S/c22-13-4-1-2-5-14(13)23-16(28)12-27-20(29)18-19(17(25-27)15-6-3-9-31-15)32-21(24-18)26-7-10-30-11-8-26/h1-6,9H,7-8,10-12H2,(H,23,28)
InChIKeyVPPOJUYXQXMPNV-UHFFFAOYSA-N
MW455.47 g/mol
LogP2.73
Rot. Bonds5

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

N-(2-fluorophenyl)-2-[7-(furan-2-yl)-2-morpholin-4-yl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide (PubChem CID 42100001) has the molecular formula C21H18FN5O4S and a molecular weight of 455.47 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-[7-(furan-2-yl)-2-morpholin-4-yl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2-[7-(furan-2-yl)-2-morpholin-4-yl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide
PubChem CID42100001
Molecular FormulaC21H18FN5O4S
Molecular Weight455.47 g/mol
Exact Mass455.11
IUPAC NameN-(2-fluorophenyl)-2-[7-(furan-2-yl)-2-morpholin-4-yl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide
SMILESO=C(Cn1nc(-c2ccco2)c2sc(N3CCOCC3)nc2c1=O)Nc1ccccc1F
InChIInChI=1S/C21H18FN5O4S/c22-13-4-1-2-5-14(13)23-16(28)12-27-20(29)18-19(17(25-27)15-6-3-9-31-15)32-21(24-18)26-7-10-30-11-8-26/h1-6,9H,7-8,10-12H2,(H,23,28)
InChIKeyVPPOJUYXQXMPNV-UHFFFAOYSA-N
XLogP2.73
TPSA102.49 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.47
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2-[7-(furan-2-yl)-2-morpholin-4-yl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide?
The IUPAC name of N-(2-fluorophenyl)-2-[7-(furan-2-yl)-2-morpholin-4-yl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide (CID 42100001) is N-(2-fluorophenyl)-2-[7-(furan-2-yl)-2-morpholin-4-yl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide.
What is the SMILES notation for N-(2-fluorophenyl)-2-[7-(furan-2-yl)-2-morpholin-4-yl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide?
The canonical SMILES for N-(2-fluorophenyl)-2-[7-(furan-2-yl)-2-morpholin-4-yl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide is O=C(Cn1nc(-c2ccco2)c2sc(N3CCOCC3)nc2c1=O)Nc1ccccc1F.
What is the InChIKey of N-(2-fluorophenyl)-2-[7-(furan-2-yl)-2-morpholin-4-yl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide?
The InChIKey is VPPOJUYXQXMPNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN5O4S/c22-13-4-1-2-5-14(13)23-16(28)12-27-20(29)18-19(17(25-27)15-6-3-9-31-15)32-21(24-18)26-7-10-30-11-8-26/h1-6,9H,7-8,10-12H2,(H,23,28).
What are the key properties of N-(2-fluorophenyl)-2-[7-(furan-2-yl)-2-morpholin-4-yl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide?
N-(2-fluorophenyl)-2-[7-(furan-2-yl)-2-morpholin-4-yl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide has a molecular weight of 455.47 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2-[7-(furan-2-yl)-2-morpholin-4-yl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide is sourced from PubChem (CID 42100001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).