1-(4-chlorophenyl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-6-methyl-4-oxopyridazine-3-carboxamide

C21H14ClFN4O2S — CID 27668529

IUPAC1-(4-chlorophenyl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-6-methyl-4-oxopyridazine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)Nc2nc(-c3ccc(F)cc3)cs2)nn1-c1ccc(Cl)cc1
InChIInChI=1S/C21H14ClFN4O2S/c1-12-10-18(28)19(26-27(12)16-8-4-14(22)5-9-16)20(29)25-21-24-17(11-30-21)13-2-6-15(23)7-3-13/h2-11H,1H3,(H,24,25,29)
InChIKeyKDPWAQUURZGTIF-UHFFFAOYSA-N
MW440.89 g/mol
LogP4.71
Rot. Bonds4

About 1-(4-chlorophenyl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-6-methyl-4-oxopyridazine-3-carboxamide

1-(4-chlorophenyl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-6-methyl-4-oxopyridazine-3-carboxamide (PubChem CID 27668529) has the molecular formula C21H14ClFN4O2S and a molecular weight of 440.89 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-6-methyl-4-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-6-methyl-4-oxopyridazine-3-carboxamide
PubChem CID27668529
Molecular FormulaC21H14ClFN4O2S
Molecular Weight440.89 g/mol
Exact Mass440.05
IUPAC Name1-(4-chlorophenyl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-6-methyl-4-oxopyridazine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)Nc2nc(-c3ccc(F)cc3)cs2)nn1-c1ccc(Cl)cc1
InChIInChI=1S/C21H14ClFN4O2S/c1-12-10-18(28)19(26-27(12)16-8-4-14(22)5-9-16)20(29)25-21-24-17(11-30-21)13-2-6-15(23)7-3-13/h2-11H,1H3,(H,24,25,29)
InChIKeyKDPWAQUURZGTIF-UHFFFAOYSA-N
XLogP4.71
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.89
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-chlorophenyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-6-methyl-4-oxopyridazine-3-carboxamide
CID 27668806
1-(2-fluorophenyl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-6-methyl-4-oxopyridazine-3-carboxamide
CID 26693950
N-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]-1-(4-fluorophenyl)-5-methyltriazole-4-carboxamide
CID 60581837
[1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] 1-(4-chlorophenyl)-6-methyl-4-oxopyridazine-3-carboxylate
CID 167781867
N-(6-chloro-1,3-benzothiazol-2-yl)-1-(4-chlorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 27668271
1-(4-chlorophenyl)-6-methyl-4-oxo-N-[4-[(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-1,3-thiazol-2-yl]pyridazine-3-carboxamide
CID 24683346
N-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]-6-methyl-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 60551870
1-(4-chlorophenyl)-6-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)-4-oxopyridazine-3-carboxamide
CID 9192872
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2,5-dimethylpyrazole-3-carboxamide
CID 16809683
methyl 5-[[1-(4-chlorophenyl)-6-methyl-4-oxopyridazine-3-carbonyl]amino]-2,4-difluorobenzoate
CID 24659358
N-(4-acetyl-1,3-thiazol-2-yl)-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 26469492
1-(4-chlorophenyl)-N-(3,4-dimethylphenyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 9191703

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-6-methyl-4-oxopyridazine-3-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-6-methyl-4-oxopyridazine-3-carboxamide (CID 27668529) is 1-(4-chlorophenyl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-6-methyl-4-oxopyridazine-3-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-6-methyl-4-oxopyridazine-3-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-6-methyl-4-oxopyridazine-3-carboxamide is Cc1cc(=O)c(C(=O)Nc2nc(-c3ccc(F)cc3)cs2)nn1-c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-6-methyl-4-oxopyridazine-3-carboxamide?
The InChIKey is KDPWAQUURZGTIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClFN4O2S/c1-12-10-18(28)19(26-27(12)16-8-4-14(22)5-9-16)20(29)25-21-24-17(11-30-21)13-2-6-15(23)7-3-13/h2-11H,1H3,(H,24,25,29).
What are the key properties of 1-(4-chlorophenyl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-6-methyl-4-oxopyridazine-3-carboxamide?
1-(4-chlorophenyl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-6-methyl-4-oxopyridazine-3-carboxamide has a molecular weight of 440.89 g/mol, XLogP of 4.71, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-6-methyl-4-oxopyridazine-3-carboxamide is sourced from PubChem (CID 27668529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).