2-ethyl-N-(6-fluoro-1,3-benzothiazol-2-yl)-3-oxo-5,6-diphenylpyridazine-4-carboxamide

C26H19FN4O2S — CID 108739068

IUPAC2-ethyl-N-(6-fluoro-1,3-benzothiazol-2-yl)-3-oxo-5,6-diphenylpyridazine-4-carboxamide
SMILESCCn1nc(-c2ccccc2)c(-c2ccccc2)c(C(=O)Nc2nc3ccc(F)cc3s2)c1=O
InChIInChI=1S/C26H19FN4O2S/c1-2-31-25(33)22(24(32)29-26-28-19-14-13-18(27)15-20(19)34-26)21(16-9-5-3-6-10-16)23(30-31)17-11-7-4-8-12-17/h3-15H,2H2,1H3,(H,28,29,32)
InChIKeyPWTVPFFIMHKPAO-UHFFFAOYSA-N
MW470.53 g/mol
LogP5.60
Rot. Bonds5

About 2-ethyl-N-(6-fluoro-1,3-benzothiazol-2-yl)-3-oxo-5,6-diphenylpyridazine-4-carboxamide

2-ethyl-N-(6-fluoro-1,3-benzothiazol-2-yl)-3-oxo-5,6-diphenylpyridazine-4-carboxamide (PubChem CID 108739068) has the molecular formula C26H19FN4O2S and a molecular weight of 470.53 g/mol. Its IUPAC name is 2-ethyl-N-(6-fluoro-1,3-benzothiazol-2-yl)-3-oxo-5,6-diphenylpyridazine-4-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-(6-fluoro-1,3-benzothiazol-2-yl)-3-oxo-5,6-diphenylpyridazine-4-carboxamide
PubChem CID108739068
Molecular FormulaC26H19FN4O2S
Molecular Weight470.53 g/mol
Exact Mass470.12
IUPAC Name2-ethyl-N-(6-fluoro-1,3-benzothiazol-2-yl)-3-oxo-5,6-diphenylpyridazine-4-carboxamide
SMILESCCn1nc(-c2ccccc2)c(-c2ccccc2)c(C(=O)Nc2nc3ccc(F)cc3s2)c1=O
InChIInChI=1S/C26H19FN4O2S/c1-2-31-25(33)22(24(32)29-26-28-19-14-13-18(27)15-20(19)34-26)21(16-9-5-3-6-10-16)23(30-31)17-11-7-4-8-12-17/h3-15H,2H2,1H3,(H,28,29,32)
InChIKeyPWTVPFFIMHKPAO-UHFFFAOYSA-N
XLogP5.60
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.53
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,5-difluorophenyl)-2-ethyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide
CID 108803435
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-methyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide
CID 108803346
2-methyl-N-(6-nitro-1,3-benzothiazol-2-yl)-3-oxo-5,6-diphenylpyridazine-4-carboxamide
CID 108790705
2-ethyl-3-oxo-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-5,6-diphenylpyridazine-4-carboxamide
CID 108803455
N-(2-chloro-4,6-dimethylphenyl)-2-ethyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide
CID 108790852
N-(2,3-dimethylphenyl)-2-ethyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide
CID 108790783
4-[(2-ethyl-3-oxo-5,6-diphenylpyridazine-4-carbonyl)amino]-2-hydroxybenzoic acid
CID 108803452
N-(2,3-dichlorophenyl)-2-ethyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide
CID 108790725
N-(2,5-dimethoxyphenyl)-2-ethyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide
CID 108790773
2-ethyl-3-oxo-5,6-diphenyl-N-quinolin-8-ylpyridazine-4-carboxamide
CID 108790850
2-ethyl-N-(1H-indazol-6-yl)-3-oxo-5,6-diphenylpyridazine-4-carboxamide
CID 21001865
2-ethyl-3-oxo-N-(2-oxo-1H-pyrimidin-6-yl)-5,6-diphenylpyridazine-4-carboxamide
CID 108803445

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(6-fluoro-1,3-benzothiazol-2-yl)-3-oxo-5,6-diphenylpyridazine-4-carboxamide?
The IUPAC name of 2-ethyl-N-(6-fluoro-1,3-benzothiazol-2-yl)-3-oxo-5,6-diphenylpyridazine-4-carboxamide (CID 108739068) is 2-ethyl-N-(6-fluoro-1,3-benzothiazol-2-yl)-3-oxo-5,6-diphenylpyridazine-4-carboxamide.
What is the SMILES notation for 2-ethyl-N-(6-fluoro-1,3-benzothiazol-2-yl)-3-oxo-5,6-diphenylpyridazine-4-carboxamide?
The canonical SMILES for 2-ethyl-N-(6-fluoro-1,3-benzothiazol-2-yl)-3-oxo-5,6-diphenylpyridazine-4-carboxamide is CCn1nc(-c2ccccc2)c(-c2ccccc2)c(C(=O)Nc2nc3ccc(F)cc3s2)c1=O.
What is the InChIKey of 2-ethyl-N-(6-fluoro-1,3-benzothiazol-2-yl)-3-oxo-5,6-diphenylpyridazine-4-carboxamide?
The InChIKey is PWTVPFFIMHKPAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19FN4O2S/c1-2-31-25(33)22(24(32)29-26-28-19-14-13-18(27)15-20(19)34-26)21(16-9-5-3-6-10-16)23(30-31)17-11-7-4-8-12-17/h3-15H,2H2,1H3,(H,28,29,32).
What are the key properties of 2-ethyl-N-(6-fluoro-1,3-benzothiazol-2-yl)-3-oxo-5,6-diphenylpyridazine-4-carboxamide?
2-ethyl-N-(6-fluoro-1,3-benzothiazol-2-yl)-3-oxo-5,6-diphenylpyridazine-4-carboxamide has a molecular weight of 470.53 g/mol, XLogP of 5.60, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(6-fluoro-1,3-benzothiazol-2-yl)-3-oxo-5,6-diphenylpyridazine-4-carboxamide is sourced from PubChem (CID 108739068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).