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

C24H21FN4O2S — CID 42138748

IUPACN-[3-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]propyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccccc2)sc1C(=O)NCCCn1nc(-c2ccc(F)cc2)ccc1=O
InChIInChI=1S/C24H21FN4O2S/c1-16-22(32-24(27-16)18-6-3-2-4-7-18)23(31)26-14-5-15-29-21(30)13-12-20(28-29)17-8-10-19(25)11-9-17/h2-4,6-13H,5,14-15H2,1H3,(H,26,31)
InChIKeyYUOJQAGNCTXPBG-UHFFFAOYSA-N
MW448.52 g/mol
LogP4.30
Rot. Bonds7

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

N-[3-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]propyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide (PubChem CID 42138748) has the molecular formula C24H21FN4O2S and a molecular weight of 448.52 g/mol. Its IUPAC name is N-[3-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]propyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]propyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
PubChem CID42138748
Molecular FormulaC24H21FN4O2S
Molecular Weight448.52 g/mol
Exact Mass448.14
IUPAC NameN-[3-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]propyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccccc2)sc1C(=O)NCCCn1nc(-c2ccc(F)cc2)ccc1=O
InChIInChI=1S/C24H21FN4O2S/c1-16-22(32-24(27-16)18-6-3-2-4-7-18)23(31)26-14-5-15-29-21(30)13-12-20(28-29)17-8-10-19(25)11-9-17/h2-4,6-13H,5,14-15H2,1H3,(H,26,31)
InChIKeyYUOJQAGNCTXPBG-UHFFFAOYSA-N
XLogP4.30
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.52
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]propyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[3-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]propyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide (CID 42138748) is N-[3-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]propyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[3-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]propyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[3-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]propyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide is Cc1nc(-c2ccccc2)sc1C(=O)NCCCn1nc(-c2ccc(F)cc2)ccc1=O.
What is the InChIKey of N-[3-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]propyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide?
The InChIKey is YUOJQAGNCTXPBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN4O2S/c1-16-22(32-24(27-16)18-6-3-2-4-7-18)23(31)26-14-5-15-29-21(30)13-12-20(28-29)17-8-10-19(25)11-9-17/h2-4,6-13H,5,14-15H2,1H3,(H,26,31).
What are the key properties of N-[3-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]propyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide?
N-[3-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]propyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide has a molecular weight of 448.52 g/mol, XLogP of 4.30, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]propyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 42138748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).