N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide

C25H24N4O3S — CID 41241229

IUPACN-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
SMILESCCOc1ccc(-c2ccc(=O)n(CCNC(=O)c3sc(-c4ccccc4)nc3C)n2)cc1
InChIInChI=1S/C25H24N4O3S/c1-3-32-20-11-9-18(10-12-20)21-13-14-22(30)29(28-21)16-15-26-24(31)23-17(2)27-25(33-23)19-7-5-4-6-8-19/h4-14H,3,15-16H2,1-2H3,(H,26,31)
InChIKeyGDBKTBDAFFGACL-UHFFFAOYSA-N
MW460.56 g/mol
LogP4.17
Rot. Bonds8

About N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide

N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide (PubChem CID 41241229) has the molecular formula C25H24N4O3S and a molecular weight of 460.56 g/mol. Its IUPAC name is N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
PubChem CID41241229
Molecular FormulaC25H24N4O3S
Molecular Weight460.56 g/mol
Exact Mass460.16
IUPAC NameN-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
SMILESCCOc1ccc(-c2ccc(=O)n(CCNC(=O)c3sc(-c4ccccc4)nc3C)n2)cc1
InChIInChI=1S/C25H24N4O3S/c1-3-32-20-11-9-18(10-12-20)21-13-14-22(30)29(28-21)16-15-26-24(31)23-17(2)27-25(33-23)19-7-5-4-6-8-19/h4-14H,3,15-16H2,1-2H3,(H,26,31)
InChIKeyGDBKTBDAFFGACL-UHFFFAOYSA-N
XLogP4.17
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.56
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide (CID 41241229) is N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide is CCOc1ccc(-c2ccc(=O)n(CCNC(=O)c3sc(-c4ccccc4)nc3C)n2)cc1.
What is the InChIKey of N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide?
The InChIKey is GDBKTBDAFFGACL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O3S/c1-3-32-20-11-9-18(10-12-20)21-13-14-22(30)29(28-21)16-15-26-24(31)23-17(2)27-25(33-23)19-7-5-4-6-8-19/h4-14H,3,15-16H2,1-2H3,(H,26,31).
What are the key properties of N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide?
N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide has a molecular weight of 460.56 g/mol, XLogP of 4.17, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 41241229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).