N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-N,1-dimethyl-6-oxo-4,5-dihydropyridazine-3-carboxamide

C16H18N4O2S — CID 39549874

IUPACN-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-N,1-dimethyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESC[C@H](c1nc2ccccc2s1)N(C)C(=O)C1=NN(C)C(=O)CC1
InChIInChI=1S/C16H18N4O2S/c1-10(15-17-11-6-4-5-7-13(11)23-15)19(2)16(22)12-8-9-14(21)20(3)18-12/h4-7,10H,8-9H2,1-3H3/t10-/m1/s1
InChIKeyBGXVFIQXIAHEHN-SNVBAGLBSA-N
MW330.41 g/mol
LogP2.42
Rot. Bonds3

About N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-N,1-dimethyl-6-oxo-4,5-dihydropyridazine-3-carboxamide

N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-N,1-dimethyl-6-oxo-4,5-dihydropyridazine-3-carboxamide (PubChem CID 39549874) has the molecular formula C16H18N4O2S and a molecular weight of 330.41 g/mol. Its IUPAC name is N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-N,1-dimethyl-6-oxo-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-N,1-dimethyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
PubChem CID39549874
Molecular FormulaC16H18N4O2S
Molecular Weight330.41 g/mol
Exact Mass330.12
IUPAC NameN-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-N,1-dimethyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESC[C@H](c1nc2ccccc2s1)N(C)C(=O)C1=NN(C)C(=O)CC1
InChIInChI=1S/C16H18N4O2S/c1-10(15-17-11-6-4-5-7-13(11)23-15)19(2)16(22)12-8-9-14(21)20(3)18-12/h4-7,10H,8-9H2,1-3H3/t10-/m1/s1
InChIKeyBGXVFIQXIAHEHN-SNVBAGLBSA-N
XLogP2.42
TPSA65.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-3-(2,5-dioxopyrrolidin-1-yl)-N-methylbenzamide
CID 39965479
N-(1,3-benzothiazol-2-ylmethyl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 24543320
N-[1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-4-(2-oxopyrrolidin-1-yl)benzamide
CID 46452312
N-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methylnaphthalene-2-carboxamide
CID 8820294
N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-3,4-dichloro-N-methylbenzamide
CID 8820373
N-[1-(1,3-benzothiazol-2-yl)ethyl]-N,3-dimethyl-1-benzothiophene-2-carboxamide
CID 24503789
N-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 9469630
N-(1,3-benzothiazol-2-yl)-N-methyl-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
CID 34250948
N-[1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 17441541
N-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide
CID 8626897
N-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-6-chloro-N-methylpyridine-3-carboxamide
CID 9406160
N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-3-methoxy-N-methylnaphthalene-2-carboxamide
CID 9406136

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-N,1-dimethyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-N,1-dimethyl-6-oxo-4,5-dihydropyridazine-3-carboxamide (CID 39549874) is N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-N,1-dimethyl-6-oxo-4,5-dihydropyridazine-3-carboxamide.
What is the SMILES notation for N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-N,1-dimethyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-N,1-dimethyl-6-oxo-4,5-dihydropyridazine-3-carboxamide is C[C@H](c1nc2ccccc2s1)N(C)C(=O)C1=NN(C)C(=O)CC1.
What is the InChIKey of N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-N,1-dimethyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is BGXVFIQXIAHEHN-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H18N4O2S/c1-10(15-17-11-6-4-5-7-13(11)23-15)19(2)16(22)12-8-9-14(21)20(3)18-12/h4-7,10H,8-9H2,1-3H3/t10-/m1/s1.
What are the key properties of N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-N,1-dimethyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-N,1-dimethyl-6-oxo-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 330.41 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-N,1-dimethyl-6-oxo-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 39549874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).