2-(3,6-dioxo-1,2-dihydropyridazin-4-yl)-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)acetamide

C15H18N4O3S — CID 86283896

IUPAC2-(3,6-dioxo-1,2-dihydropyridazin-4-yl)-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)acetamide
SMILESCN(Cc1nc2c(s1)CCCC2)C(=O)Cc1cc(=O)[nH][nH]c1=O
InChIInChI=1S/C15H18N4O3S/c1-19(8-13-16-10-4-2-3-5-11(10)23-13)14(21)7-9-6-12(20)17-18-15(9)22/h6H,2-5,7-8H2,1H3,(H,17,20)(H,18,22)
InChIKeySCHBJQWMDVTHDZ-UHFFFAOYSA-N
MW334.40 g/mol
LogP0.60
Rot. Bonds4

About 2-(3,6-dioxo-1,2-dihydropyridazin-4-yl)-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)acetamide

2-(3,6-dioxo-1,2-dihydropyridazin-4-yl)-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)acetamide (PubChem CID 86283896) has the molecular formula C15H18N4O3S and a molecular weight of 334.40 g/mol. Its IUPAC name is 2-(3,6-dioxo-1,2-dihydropyridazin-4-yl)-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(3,6-dioxo-1,2-dihydropyridazin-4-yl)-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)acetamide
PubChem CID86283896
Molecular FormulaC15H18N4O3S
Molecular Weight334.40 g/mol
Exact Mass334.11
IUPAC Name2-(3,6-dioxo-1,2-dihydropyridazin-4-yl)-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)acetamide
SMILESCN(Cc1nc2c(s1)CCCC2)C(=O)Cc1cc(=O)[nH][nH]c1=O
InChIInChI=1S/C15H18N4O3S/c1-19(8-13-16-10-4-2-3-5-11(10)23-13)14(21)7-9-6-12(20)17-18-15(9)22/h6H,2-5,7-8H2,1H3,(H,17,20)(H,18,22)
InChIKeySCHBJQWMDVTHDZ-UHFFFAOYSA-N
XLogP0.60
TPSA98.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-2-(methylamino)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)acetamide;hydrochloride
CID 120704873
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)acetamide
CID 119884783
2-amino-N-methyl-2-(4-methylphenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)acetamide
CID 120670304
N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)-1H-pyrazole-4-carboxamide
CID 122144804
(2R)-2-amino-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)propanamide;dihydrochloride
CID 119884776
2-(3,6-dioxo-1,2-dihydropyridazin-4-yl)-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N-methylacetamide
CID 91787193
2-(aminomethyl)-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119884791
(4S)-N-methyl-2,7-dioxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)-1,3-diazepane-4-carboxamide
CID 125176118
1-amino-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)cyclohexane-1-carboxamide;dihydrochloride
CID 119884799
3-amino-N,2-dimethyl-3-phenyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)propanamide
CID 119884767
N-methyl-2-[1-[(5-methylfuran-2-yl)methyl]-3-oxopiperazin-2-yl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)acetamide
CID 45185862
(2R)-2-(methanesulfonamido)-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)propanamide
CID 96787601

Frequently Asked Questions

What is the IUPAC name of 2-(3,6-dioxo-1,2-dihydropyridazin-4-yl)-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)acetamide?
The IUPAC name of 2-(3,6-dioxo-1,2-dihydropyridazin-4-yl)-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)acetamide (CID 86283896) is 2-(3,6-dioxo-1,2-dihydropyridazin-4-yl)-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(3,6-dioxo-1,2-dihydropyridazin-4-yl)-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)acetamide?
The canonical SMILES for 2-(3,6-dioxo-1,2-dihydropyridazin-4-yl)-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)acetamide is CN(Cc1nc2c(s1)CCCC2)C(=O)Cc1cc(=O)[nH][nH]c1=O.
What is the InChIKey of 2-(3,6-dioxo-1,2-dihydropyridazin-4-yl)-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)acetamide?
The InChIKey is SCHBJQWMDVTHDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3S/c1-19(8-13-16-10-4-2-3-5-11(10)23-13)14(21)7-9-6-12(20)17-18-15(9)22/h6H,2-5,7-8H2,1H3,(H,17,20)(H,18,22).
What are the key properties of 2-(3,6-dioxo-1,2-dihydropyridazin-4-yl)-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)acetamide?
2-(3,6-dioxo-1,2-dihydropyridazin-4-yl)-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)acetamide has a molecular weight of 334.40 g/mol, XLogP of 0.60, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,6-dioxo-1,2-dihydropyridazin-4-yl)-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)acetamide is sourced from PubChem (CID 86283896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).