N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]-4-methyl-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carboxamide

C24H22FN5O3S — CID 55968472

IUPACN-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]-4-methyl-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2c(C)c(C)nn(C)c2=O)sc1C(=O)NCc1ccc(Oc2ccc(F)cc2)nc1
InChIInChI=1S/C24H22FN5O3S/c1-13-14(2)29-30(4)24(32)20(13)23-28-15(3)21(34-23)22(31)27-12-16-5-10-19(26-11-16)33-18-8-6-17(25)7-9-18/h5-11H,12H2,1-4H3,(H,27,31)
InChIKeySTEJSZYEHKCVQW-UHFFFAOYSA-N
MW479.54 g/mol
LogP4.09
Rot. Bonds6

About N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]-4-methyl-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carboxamide

N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]-4-methyl-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carboxamide (PubChem CID 55968472) has the molecular formula C24H22FN5O3S and a molecular weight of 479.54 g/mol. Its IUPAC name is N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]-4-methyl-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]-4-methyl-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carboxamide
PubChem CID55968472
Molecular FormulaC24H22FN5O3S
Molecular Weight479.54 g/mol
Exact Mass479.14
IUPAC NameN-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]-4-methyl-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2c(C)c(C)nn(C)c2=O)sc1C(=O)NCc1ccc(Oc2ccc(F)cc2)nc1
InChIInChI=1S/C24H22FN5O3S/c1-13-14(2)29-30(4)24(32)20(13)23-28-15(3)21(34-23)22(31)27-12-16-5-10-19(26-11-16)33-18-8-6-17(25)7-9-18/h5-11H,12H2,1-4H3,(H,27,31)
InChIKeySTEJSZYEHKCVQW-UHFFFAOYSA-N
XLogP4.09
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.54
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]-4-methyl-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carboxamide with MolForge

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Related Compounds

2-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 9400718
N-(4-ethylphenyl)-4-methyl-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carboxamide
CID 39004841
N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 55800742
4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carboxamide
CID 78864839
4-methyl-N-[[3-(piperidine-1-carbonyl)phenyl]methyl]-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carboxamide
CID 55967107
N-(3,3-dimethylbutyl)-4-methyl-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carboxamide
CID 34712738
N-(3-ethoxypropyl)-4-methyl-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carboxamide
CID 39005134
2-(4-chlorophenyl)-N-[(6-methoxy-3-pyridinyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 16602270
(4S)-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]-1,3-dimethyl-5-oxo-4H-pyrazole-4-carboxamide
CID 98258923
N-cyclopropyl-4-methyl-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carboxamide
CID 39896132
N-(2,5-dimethylpyrazol-3-yl)-4-methyl-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carboxamide
CID 60573724
N-[2-(2,3-dichlorophenyl)ethyl]-4-methyl-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carboxamide
CID 55972219

Frequently Asked Questions

What is the IUPAC name of N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]-4-methyl-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]-4-methyl-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carboxamide (CID 55968472) is N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]-4-methyl-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]-4-methyl-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]-4-methyl-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carboxamide is Cc1nc(-c2c(C)c(C)nn(C)c2=O)sc1C(=O)NCc1ccc(Oc2ccc(F)cc2)nc1.
What is the InChIKey of N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]-4-methyl-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is STEJSZYEHKCVQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN5O3S/c1-13-14(2)29-30(4)24(32)20(13)23-28-15(3)21(34-23)22(31)27-12-16-5-10-19(26-11-16)33-18-8-6-17(25)7-9-18/h5-11H,12H2,1-4H3,(H,27,31).
What are the key properties of N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]-4-methyl-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carboxamide?
N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]-4-methyl-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 479.54 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]-4-methyl-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 55968472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).