N-(1,3-benzothiazol-2-yl)-N-methyl-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide

C19H16N4O2S — CID 34250948

IUPACN-(1,3-benzothiazol-2-yl)-N-methyl-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
SMILESCN(C(=O)C1=NN(c2ccccc2)C(=O)CC1)c1nc2ccccc2s1
InChIInChI=1S/C19H16N4O2S/c1-22(19-20-14-9-5-6-10-16(14)26-19)18(25)15-11-12-17(24)23(21-15)13-7-3-2-4-8-13/h2-10H,11-12H2,1H3
InChIKeySHIOSXMPSDSJCQ-UHFFFAOYSA-N
MW364.43 g/mol
LogP3.44
Rot. Bonds3

About N-(1,3-benzothiazol-2-yl)-N-methyl-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide

N-(1,3-benzothiazol-2-yl)-N-methyl-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide (PubChem CID 34250948) has the molecular formula C19H16N4O2S and a molecular weight of 364.43 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-N-methyl-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-N-methyl-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
PubChem CID34250948
Molecular FormulaC19H16N4O2S
Molecular Weight364.43 g/mol
Exact Mass364.10
IUPAC NameN-(1,3-benzothiazol-2-yl)-N-methyl-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
SMILESCN(C(=O)C1=NN(c2ccccc2)C(=O)CC1)c1nc2ccccc2s1
InChIInChI=1S/C19H16N4O2S/c1-22(19-20-14-9-5-6-10-16(14)26-19)18(25)15-11-12-17(24)23(21-15)13-7-3-2-4-8-13/h2-10H,11-12H2,1H3
InChIKeySHIOSXMPSDSJCQ-UHFFFAOYSA-N
XLogP3.44
TPSA65.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-N-methyl-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-N-methyl-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide (CID 34250948) is N-(1,3-benzothiazol-2-yl)-N-methyl-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-N-methyl-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-N-methyl-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide is CN(C(=O)C1=NN(c2ccccc2)C(=O)CC1)c1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-N-methyl-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is SHIOSXMPSDSJCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2S/c1-22(19-20-14-9-5-6-10-16(14)26-19)18(25)15-11-12-17(24)23(21-15)13-7-3-2-4-8-13/h2-10H,11-12H2,1H3.
What are the key properties of N-(1,3-benzothiazol-2-yl)-N-methyl-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide?
N-(1,3-benzothiazol-2-yl)-N-methyl-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 364.43 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-N-methyl-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 34250948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).