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

C23H23N5O6S — CID 42100008

IUPACN-(3,4-dimethoxyphenyl)-2-[7-(furan-2-yl)-2-morpholin-4-yl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide
SMILESCOc1ccc(NC(=O)Cn2nc(-c3ccco3)c3sc(N4CCOCC4)nc3c2=O)cc1OC
InChIInChI=1S/C23H23N5O6S/c1-31-15-6-5-14(12-17(15)32-2)24-18(29)13-28-22(30)20-21(19(26-28)16-4-3-9-34-16)35-23(25-20)27-7-10-33-11-8-27/h3-6,9,12H,7-8,10-11,13H2,1-2H3,(H,24,29)
InChIKeyLBQYLPKWGFYQKP-UHFFFAOYSA-N
MW497.53 g/mol
LogP2.61
Rot. Bonds7

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

N-(3,4-dimethoxyphenyl)-2-[7-(furan-2-yl)-2-morpholin-4-yl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide (PubChem CID 42100008) has the molecular formula C23H23N5O6S and a molecular weight of 497.53 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-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-(3,4-dimethoxyphenyl)-2-[7-(furan-2-yl)-2-morpholin-4-yl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide
PubChem CID42100008
Molecular FormulaC23H23N5O6S
Molecular Weight497.53 g/mol
Exact Mass497.14
IUPAC NameN-(3,4-dimethoxyphenyl)-2-[7-(furan-2-yl)-2-morpholin-4-yl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide
SMILESCOc1ccc(NC(=O)Cn2nc(-c3ccco3)c3sc(N4CCOCC4)nc3c2=O)cc1OC
InChIInChI=1S/C23H23N5O6S/c1-31-15-6-5-14(12-17(15)32-2)24-18(29)13-28-22(30)20-21(19(26-28)16-4-3-9-34-16)35-23(25-20)27-7-10-33-11-8-27/h3-6,9,12H,7-8,10-11,13H2,1-2H3,(H,24,29)
InChIKeyLBQYLPKWGFYQKP-UHFFFAOYSA-N
XLogP2.61
TPSA120.95 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.53
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-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-(3,4-dimethoxyphenyl)-2-[7-(furan-2-yl)-2-morpholin-4-yl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide (CID 42100008) is N-(3,4-dimethoxyphenyl)-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-(3,4-dimethoxyphenyl)-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-(3,4-dimethoxyphenyl)-2-[7-(furan-2-yl)-2-morpholin-4-yl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide is COc1ccc(NC(=O)Cn2nc(-c3ccco3)c3sc(N4CCOCC4)nc3c2=O)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-2-[7-(furan-2-yl)-2-morpholin-4-yl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide?
The InChIKey is LBQYLPKWGFYQKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O6S/c1-31-15-6-5-14(12-17(15)32-2)24-18(29)13-28-22(30)20-21(19(26-28)16-4-3-9-34-16)35-23(25-20)27-7-10-33-11-8-27/h3-6,9,12H,7-8,10-11,13H2,1-2H3,(H,24,29).
What are the key properties of N-(3,4-dimethoxyphenyl)-2-[7-(furan-2-yl)-2-morpholin-4-yl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide?
N-(3,4-dimethoxyphenyl)-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 497.53 g/mol, XLogP of 2.61, 7 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-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 42100008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).