N-methyl-N-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide

C21H22N4O2S — CID 126787740

IUPACN-methyl-N-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
SMILESCc1nc2c(s1)C(N(C)C(=O)Cn1nc(-c3ccccc3)ccc1=O)CCC2
InChIInChI=1S/C21H22N4O2S/c1-14-22-17-9-6-10-18(21(17)28-14)24(2)20(27)13-25-19(26)12-11-16(23-25)15-7-4-3-5-8-15/h3-5,7-8,11-12,18H,6,9-10,13H2,1-2H3
InChIKeyZUCOWQGUHJHFDQ-UHFFFAOYSA-N
MW394.50 g/mol
LogP3.21
Rot. Bonds4

About N-methyl-N-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide

N-methyl-N-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide (PubChem CID 126787740) has the molecular formula C21H22N4O2S and a molecular weight of 394.50 g/mol. Its IUPAC name is N-methyl-N-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide.

Molecular Properties

Compound NameN-methyl-N-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
PubChem CID126787740
Molecular FormulaC21H22N4O2S
Molecular Weight394.50 g/mol
Exact Mass394.15
IUPAC NameN-methyl-N-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
SMILESCc1nc2c(s1)C(N(C)C(=O)Cn1nc(-c3ccccc3)ccc1=O)CCC2
InChIInChI=1S/C21H22N4O2S/c1-14-22-17-9-6-10-18(21(17)28-14)24(2)20(27)13-25-19(26)12-11-16(23-25)15-7-4-3-5-8-15/h3-5,7-8,11-12,18H,6,9-10,13H2,1-2H3
InChIKeyZUCOWQGUHJHFDQ-UHFFFAOYSA-N
XLogP3.21
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-N-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl)acetamide
CID 71931835
N-[(2-hydroxycyclopentyl)methyl]-N-methyl-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 109399985
N-(1,3-benzothiazol-2-yl)-N-(2-methylphenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 55883158
N-(4-methyl-1,3-thiazol-2-yl)-2-(6-oxo-3-phenylpyridazin-1-yl)-N-phenylacetamide
CID 55883933
1-methyl-1-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl)-3-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]urea
CID 136525086
(3R)-N-methyl-N-[(7R)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl]-2,3-dihydro-1-benzofuran-3-carboxamide
CID 96539220
3-chloro-N-[2-[methyl-[(7R)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl]amino]-2-oxoethyl]benzamide
CID 99116236
3-amino-N,2-dimethyl-N-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl)butanamide;dihydrochloride
CID 120503984
2-[ethyl-[2-(6-oxo-3-phenylpyridazin-1-yl)acetyl]amino]acetic acid
CID 119205689
N-ethyl-N-(2-methylphenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 121050082
N-methyl-2-(6-oxo-3-phenylpyridazin-1-yl)-N-[(1-phenylcyclopropyl)methyl]acetamide
CID 126782676
2-[2-oxo-2-[(2R)-2-propan-2-ylpyrrolidin-1-yl]ethyl]-6-phenylpyridazin-3-one
CID 94824287

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide?
The IUPAC name of N-methyl-N-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide (CID 126787740) is N-methyl-N-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide.
What is the SMILES notation for N-methyl-N-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide?
The canonical SMILES for N-methyl-N-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide is Cc1nc2c(s1)C(N(C)C(=O)Cn1nc(-c3ccccc3)ccc1=O)CCC2.
What is the InChIKey of N-methyl-N-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide?
The InChIKey is ZUCOWQGUHJHFDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2S/c1-14-22-17-9-6-10-18(21(17)28-14)24(2)20(27)13-25-19(26)12-11-16(23-25)15-7-4-3-5-8-15/h3-5,7-8,11-12,18H,6,9-10,13H2,1-2H3.
What are the key properties of N-methyl-N-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide?
N-methyl-N-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide has a molecular weight of 394.50 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide is sourced from PubChem (CID 126787740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).