N-(1,3-benzothiazol-2-yl)-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propanamide

C19H15N5O2S — CID 121101126

IUPACN-(1,3-benzothiazol-2-yl)-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propanamide
SMILESCC(C(=O)Nc1nc2ccccc2s1)n1nc(-c2ccncc2)ccc1=O
InChIInChI=1S/C19H15N5O2S/c1-12(18(26)22-19-21-15-4-2-3-5-16(15)27-19)24-17(25)7-6-14(23-24)13-8-10-20-11-9-13/h2-12H,1H3,(H,21,22,26)
InChIKeyCPFAALCQCZWLLN-UHFFFAOYSA-N
MW377.43 g/mol
LogP3.11
Rot. Bonds4

About N-(1,3-benzothiazol-2-yl)-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propanamide

N-(1,3-benzothiazol-2-yl)-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propanamide (PubChem CID 121101126) has the molecular formula C19H15N5O2S and a molecular weight of 377.43 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propanamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propanamide
PubChem CID121101126
Molecular FormulaC19H15N5O2S
Molecular Weight377.43 g/mol
Exact Mass377.09
IUPAC NameN-(1,3-benzothiazol-2-yl)-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propanamide
SMILESCC(C(=O)Nc1nc2ccccc2s1)n1nc(-c2ccncc2)ccc1=O
InChIInChI=1S/C19H15N5O2S/c1-12(18(26)22-19-21-15-4-2-3-5-16(15)27-19)24-17(25)7-6-14(23-24)13-8-10-20-11-9-13/h2-12H,1H3,(H,21,22,26)
InChIKeyCPFAALCQCZWLLN-UHFFFAOYSA-N
XLogP3.11
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.43
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(1,3-benzothiazol-2-yl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]propanamide
CID 121076019
N-(1,3-benzothiazol-2-yl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide
CID 122279942
2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)-N-quinolin-5-ylpropanamide
CID 121101297
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)propanamide
CID 121101075
N-(2,5-dimethylphenyl)-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propanamide
CID 121101160
N-(9H-fluoren-2-yl)-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propanamide
CID 121101290
N-(1,3-benzothiazol-2-yl)-2-(4-oxoquinazolin-3-yl)propanamide
CID 4907134
N-(2-methylcyclohexyl)-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propanamide
CID 121101080
2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide
CID 122278884
2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)-N-(1,3-thiazol-2-yl)propanamide
CID 121100867
2-(4-oxoquinazolin-3-yl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide
CID 75356853
N-(2,6-dimethylphenyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]propanamide
CID 25249782

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propanamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propanamide (CID 121101126) is N-(1,3-benzothiazol-2-yl)-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propanamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propanamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propanamide is CC(C(=O)Nc1nc2ccccc2s1)n1nc(-c2ccncc2)ccc1=O.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propanamide?
The InChIKey is CPFAALCQCZWLLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O2S/c1-12(18(26)22-19-21-15-4-2-3-5-16(15)27-19)24-17(25)7-6-14(23-24)13-8-10-20-11-9-13/h2-12H,1H3,(H,21,22,26).
What are the key properties of N-(1,3-benzothiazol-2-yl)-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propanamide?
N-(1,3-benzothiazol-2-yl)-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propanamide has a molecular weight of 377.43 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propanamide is sourced from PubChem (CID 121101126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).