N-(6-fluoro-1,3-benzothiazol-2-yl)-4-hydroxy-1-(3-methylphenyl)-6-oxopyridazine-3-carboxamide

C19H13FN4O3S — CID 108798308

IUPACN-(6-fluoro-1,3-benzothiazol-2-yl)-4-hydroxy-1-(3-methylphenyl)-6-oxopyridazine-3-carboxamide
SMILESCc1cccc(-n2nc(C(=O)Nc3nc4ccc(F)cc4s3)c(O)cc2=O)c1
InChIInChI=1S/C19H13FN4O3S/c1-10-3-2-4-12(7-10)24-16(26)9-14(25)17(23-24)18(27)22-19-21-13-6-5-11(20)8-15(13)28-19/h2-9,25H,1H3,(H,21,22,27)
InChIKeyIPBSWCAKQAPHQP-UHFFFAOYSA-N
MW396.40 g/mol
LogP3.25
Rot. Bonds3

About N-(6-fluoro-1,3-benzothiazol-2-yl)-4-hydroxy-1-(3-methylphenyl)-6-oxopyridazine-3-carboxamide

N-(6-fluoro-1,3-benzothiazol-2-yl)-4-hydroxy-1-(3-methylphenyl)-6-oxopyridazine-3-carboxamide (PubChem CID 108798308) has the molecular formula C19H13FN4O3S and a molecular weight of 396.40 g/mol. Its IUPAC name is N-(6-fluoro-1,3-benzothiazol-2-yl)-4-hydroxy-1-(3-methylphenyl)-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(6-fluoro-1,3-benzothiazol-2-yl)-4-hydroxy-1-(3-methylphenyl)-6-oxopyridazine-3-carboxamide
PubChem CID108798308
Molecular FormulaC19H13FN4O3S
Molecular Weight396.40 g/mol
Exact Mass396.07
IUPAC NameN-(6-fluoro-1,3-benzothiazol-2-yl)-4-hydroxy-1-(3-methylphenyl)-6-oxopyridazine-3-carboxamide
SMILESCc1cccc(-n2nc(C(=O)Nc3nc4ccc(F)cc4s3)c(O)cc2=O)c1
InChIInChI=1S/C19H13FN4O3S/c1-10-3-2-4-12(7-10)24-16(26)9-14(25)17(23-24)18(27)22-19-21-13-6-5-11(20)8-15(13)28-19/h2-9,25H,1H3,(H,21,22,27)
InChIKeyIPBSWCAKQAPHQP-UHFFFAOYSA-N
XLogP3.25
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.40
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-(4-bromophenyl)-4-hydroxy-N-(6-methyl-1,3-benzothiazol-2-yl)-6-oxopyridazine-3-carboxamide
CID 108791547
N-[4-(chloromethyl)-1,3-thiazol-2-yl]-4-hydroxy-1-(3-methylphenyl)-6-oxopyridazine-3-carboxamide
CID 108798395
4-hydroxy-1-(3-methylphenyl)-6-oxo-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 108798228
3-(18F)fluoro-N-(6-methyl-1,3-benzothiazol-2-yl)(18F)benzamide
CID 46224235
N-[5-[(1,3-dioxoisoindol-2-yl)methyl]-1,3-thiazol-2-yl]-4-hydroxy-1-(3-methylphenyl)-6-oxopyridazine-3-carboxamide
CID 108798398
2-hydroxy-5-[[4-hydroxy-1-(3-methylphenyl)-6-oxopyridazine-3-carbonyl]amino]benzoic acid
CID 108798252
4-hydroxy-1-(3-methylphenyl)-6-oxo-N-(2-propan-2-ylphenyl)pyridazine-3-carboxamide
CID 108784965
4-hydroxy-1-(3-methylphenyl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-6-oxopyridazine-3-carboxamide
CID 108809192
4-hydroxy-1-(3-methylphenyl)-6-oxo-N-(4-phenoxyphenyl)pyridazine-3-carboxamide
CID 108785020
N-(2,4-dioxo-1H-pyrimidin-5-yl)-4-hydroxy-1-(3-methylphenyl)-6-oxopyridazine-3-carboxamide
CID 108785157
N-(6-ethoxy-1,3-benzothiazol-2-yl)-5-methyl-1-(3-methylphenyl)triazole-4-carboxamide
CID 55857715
2-[[2-[[4-hydroxy-1-(3-methylphenyl)-6-oxopyridazine-3-carbonyl]amino]acetyl]amino]acetic acid
CID 108785094

Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-1,3-benzothiazol-2-yl)-4-hydroxy-1-(3-methylphenyl)-6-oxopyridazine-3-carboxamide?
The IUPAC name of N-(6-fluoro-1,3-benzothiazol-2-yl)-4-hydroxy-1-(3-methylphenyl)-6-oxopyridazine-3-carboxamide (CID 108798308) is N-(6-fluoro-1,3-benzothiazol-2-yl)-4-hydroxy-1-(3-methylphenyl)-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-(6-fluoro-1,3-benzothiazol-2-yl)-4-hydroxy-1-(3-methylphenyl)-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N-(6-fluoro-1,3-benzothiazol-2-yl)-4-hydroxy-1-(3-methylphenyl)-6-oxopyridazine-3-carboxamide is Cc1cccc(-n2nc(C(=O)Nc3nc4ccc(F)cc4s3)c(O)cc2=O)c1.
What is the InChIKey of N-(6-fluoro-1,3-benzothiazol-2-yl)-4-hydroxy-1-(3-methylphenyl)-6-oxopyridazine-3-carboxamide?
The InChIKey is IPBSWCAKQAPHQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13FN4O3S/c1-10-3-2-4-12(7-10)24-16(26)9-14(25)17(23-24)18(27)22-19-21-13-6-5-11(20)8-15(13)28-19/h2-9,25H,1H3,(H,21,22,27).
What are the key properties of N-(6-fluoro-1,3-benzothiazol-2-yl)-4-hydroxy-1-(3-methylphenyl)-6-oxopyridazine-3-carboxamide?
N-(6-fluoro-1,3-benzothiazol-2-yl)-4-hydroxy-1-(3-methylphenyl)-6-oxopyridazine-3-carboxamide has a molecular weight of 396.40 g/mol, XLogP of 3.25, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoro-1,3-benzothiazol-2-yl)-4-hydroxy-1-(3-methylphenyl)-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 108798308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).