N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide

C16H14FN5O2S — CID 17461236

IUPACN-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide
SMILESCCc1nnc(NC(=O)c2nn(-c3ccccc3F)c(C)cc2=O)s1
InChIInChI=1S/C16H14FN5O2S/c1-3-13-19-20-16(25-13)18-15(24)14-12(23)8-9(2)22(21-14)11-7-5-4-6-10(11)17/h4-8H,3H2,1-2H3,(H,18,20,24)
InChIKeyYLCKWFFXGYGLSA-UHFFFAOYSA-N
MW359.39 g/mol
LogP2.35
Rot. Bonds4

About N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide (PubChem CID 17461236) has the molecular formula C16H14FN5O2S and a molecular weight of 359.39 g/mol. Its IUPAC name is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide
PubChem CID17461236
Molecular FormulaC16H14FN5O2S
Molecular Weight359.39 g/mol
Exact Mass359.09
IUPAC NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide
SMILESCCc1nnc(NC(=O)c2nn(-c3ccccc3F)c(C)cc2=O)s1
InChIInChI=1S/C16H14FN5O2S/c1-3-13-19-20-16(25-13)18-15(24)14-12(23)8-9(2)22(21-14)11-7-5-4-6-10(11)17/h4-8H,3H2,1-2H3,(H,18,20,24)
InChIKeyYLCKWFFXGYGLSA-UHFFFAOYSA-N
XLogP2.35
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-acetyl-1,3-thiazol-2-yl)-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 26469492
1-(2-fluorophenyl)-6-methyl-4-oxo-N-(2,4,6-trimethylphenyl)pyridazine-3-carboxamide
CID 26687881
N-(4-ethylsulfonylphenyl)-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 42023057
1-(2-fluorophenyl)-6-methyl-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)-4-oxopyridazine-3-carboxamide
CID 31156957
1-(2-fluorophenyl)-6-methyl-N-(4-methylsulfanylphenyl)-4-oxopyridazine-3-carboxamide
CID 9180345
1-(2-fluorophenyl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-6-methyl-4-oxopyridazine-3-carboxamide
CID 26693950
1-(2-fluorophenyl)-6-methyl-N-(3-methylbutyl)-4-oxopyridazine-3-carboxamide
CID 26689309
1-(2-fluorophenyl)-6-methyl-4-oxo-N-prop-2-enylpyridazine-3-carboxamide
CID 9076740
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 46636739
1-(2-fluorophenyl)-6-methyl-4-oxo-N-(2-thiophen-2-ylphenyl)pyridazine-3-carboxamide
CID 18284299
N-[4-(dimethylamino)phenyl]-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 92517374
1-(2-fluorophenyl)-6-methyl-N-[2-(methylamino)propyl]-4-oxopyridazine-3-carboxamide
CID 120827965

Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide?
The IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide (CID 17461236) is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide?
The canonical SMILES for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide is CCc1nnc(NC(=O)c2nn(-c3ccccc3F)c(C)cc2=O)s1.
What is the InChIKey of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide?
The InChIKey is YLCKWFFXGYGLSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN5O2S/c1-3-13-19-20-16(25-13)18-15(24)14-12(23)8-9(2)22(21-14)11-7-5-4-6-10(11)17/h4-8H,3H2,1-2H3,(H,18,20,24).
What are the key properties of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide?
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide has a molecular weight of 359.39 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide is sourced from PubChem (CID 17461236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).