N-[3-[(3-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide

C15H14FN5O2S — CID 139521917

IUPACN-[3-[(3-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCN1N=C(C(=O)Nc2nc(Cc3cccc(F)c3)ns2)CCC1=O
InChIInChI=1S/C15H14FN5O2S/c1-21-13(22)6-5-11(19-21)14(23)18-15-17-12(20-24-15)8-9-3-2-4-10(16)7-9/h2-4,7H,5-6,8H2,1H3,(H,17,18,20,23)
InChIKeyPOEKLOUPAWLVSK-UHFFFAOYSA-N
MW347.38 g/mol
LogP1.81
Rot. Bonds4

About N-[3-[(3-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide

N-[3-[(3-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide (PubChem CID 139521917) has the molecular formula C15H14FN5O2S and a molecular weight of 347.38 g/mol. Its IUPAC name is N-[3-[(3-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[(3-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
PubChem CID139521917
Molecular FormulaC15H14FN5O2S
Molecular Weight347.38 g/mol
Exact Mass347.09
IUPAC NameN-[3-[(3-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCN1N=C(C(=O)Nc2nc(Cc3cccc(F)c3)ns2)CCC1=O
InChIInChI=1S/C15H14FN5O2S/c1-21-13(22)6-5-11(19-21)14(23)18-15-17-12(20-24-15)8-9-3-2-4-10(16)7-9/h2-4,7H,5-6,8H2,1H3,(H,17,18,20,23)
InChIKeyPOEKLOUPAWLVSK-UHFFFAOYSA-N
XLogP1.81
TPSA87.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(3-fluorophenyl)methyl]-N-methyl-1,2,4-thiadiazol-5-amine
CID 65269198
N-[5-[(3,5-difluorophenyl)methyl]-1,3-thiazol-2-yl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 139521766
1-methyl-6-oxo-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]-4,5-dihydropyridazine-3-carboxamide
CID 4884176
N-[5-[(3-chloro-5-fluorophenyl)methyl]-2-pyridinyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 139521796
N-[5-[(3-formylphenyl)methyl]-2-pyridinyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 139521639
6-[(2R)-2-[(3-fluorophenyl)methyl]pyrrolidine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one
CID 94106743
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 17424534
N-(3-benzyl-1,2,4-thiadiazol-5-yl)-3,5-difluoro-4-hydroxybenzamide
CID 122149641
N-[2,6-di(propan-2-yl)phenyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 27285482
N-[(3-fluoro-4-methylphenyl)methyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 24553318
1-methyl-6-oxo-N-(2-phenylethyl)-4,5-dihydropyridazine-3-carboxamide
CID 24540154
N-(4-bromo-2-fluorophenyl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 34803866

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of N-[3-[(3-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide (CID 139521917) is N-[3-[(3-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide.
What is the SMILES notation for N-[3-[(3-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for N-[3-[(3-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide is CN1N=C(C(=O)Nc2nc(Cc3cccc(F)c3)ns2)CCC1=O.
What is the InChIKey of N-[3-[(3-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is POEKLOUPAWLVSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN5O2S/c1-21-13(22)6-5-11(19-21)14(23)18-15-17-12(20-24-15)8-9-3-2-4-10(16)7-9/h2-4,7H,5-6,8H2,1H3,(H,17,18,20,23).
What are the key properties of N-[3-[(3-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
N-[3-[(3-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 347.38 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 139521917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).