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

C14H14N4O2S — CID 24543320

IUPACN-(1,3-benzothiazol-2-ylmethyl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCN1N=C(C(=O)NCc2nc3ccccc3s2)CCC1=O
InChIInChI=1S/C14H14N4O2S/c1-18-13(19)7-6-10(17-18)14(20)15-8-12-16-9-4-2-3-5-11(9)21-12/h2-5H,6-8H2,1H3,(H,15,20)
InChIKeyOKIHBEJYBQKBKP-UHFFFAOYSA-N
MW302.36 g/mol
LogP1.52
Rot. Bonds3

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

N-(1,3-benzothiazol-2-ylmethyl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide (PubChem CID 24543320) has the molecular formula C14H14N4O2S and a molecular weight of 302.36 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-ylmethyl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-ylmethyl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
PubChem CID24543320
Molecular FormulaC14H14N4O2S
Molecular Weight302.36 g/mol
Exact Mass302.08
IUPAC NameN-(1,3-benzothiazol-2-ylmethyl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCN1N=C(C(=O)NCc2nc3ccccc3s2)CCC1=O
InChIInChI=1S/C14H14N4O2S/c1-18-13(19)7-6-10(17-18)14(20)15-8-12-16-9-4-2-3-5-11(9)21-12/h2-5H,6-8H2,1H3,(H,15,20)
InChIKeyOKIHBEJYBQKBKP-UHFFFAOYSA-N
XLogP1.52
TPSA74.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-N,1-dimethyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 39549874
N-(1,3-benzothiazol-2-ylmethyl)-3-(2,5-dioxopyrrolidin-1-yl)benzamide
CID 38283803
N-(1,3-benzothiazol-2-ylmethyl)-2,5-dimethylpyrazole-3-carboxamide
CID 11637801
N-(1,3-benzothiazol-2-ylmethyl)-5-methylthiophene-2-carboxamide
CID 18110635
1-methyl-6-oxo-N-(2-phenylethyl)-4,5-dihydropyridazine-3-carboxamide
CID 24540154
1-(1,3-benzothiazol-2-ylmethyl)-3-methylurea
CID 23548661
N-(1,3-benzothiazol-2-ylmethyl)-2-ethylbutanamide
CID 47098657
1-(1,3-benzothiazol-2-ylmethyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea
CID 47015050
N-(1,3-benzothiazol-2-ylmethyl)thiophene-2-carboxamide
CID 18110672
1-methyl-6-oxo-N-[[2-(trifluoromethoxy)phenyl]methyl]-4,5-dihydropyridazine-3-carboxamide
CID 24586575
N-(1,3-benzothiazol-2-ylmethyl)cyclopropanecarboxamide
CID 18110639
1-(1,3-benzothiazol-2-ylmethyl)-3-(2-methoxyethyl)urea
CID 47133738

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide (CID 24543320) is N-(1,3-benzothiazol-2-ylmethyl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-ylmethyl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for N-(1,3-benzothiazol-2-ylmethyl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide is CN1N=C(C(=O)NCc2nc3ccccc3s2)CCC1=O.
What is the InChIKey of N-(1,3-benzothiazol-2-ylmethyl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is OKIHBEJYBQKBKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2S/c1-18-13(19)7-6-10(17-18)14(20)15-8-12-16-9-4-2-3-5-11(9)21-12/h2-5H,6-8H2,1H3,(H,15,20).
What are the key properties of N-(1,3-benzothiazol-2-ylmethyl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
N-(1,3-benzothiazol-2-ylmethyl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 302.36 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-ylmethyl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 24543320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).