6-amino-2-methylpyridazin-3-one;6-methoxyimidazo[2,1-b][1,3]benzothiazole-2-carboxylic acid;6-methoxy-N-(1-methyl-6-oxopyridazin-3-yl)imidazo[2,1-b][1,3]benzothiazole-2-carboxamide

C32H28N10O7S2 — CID 169425284

IUPAC6-amino-2-methylpyridazin-3-one;6-methoxyimidazo[2,1-b][1,3]benzothiazole-2-carboxylic acid;6-methoxy-N-(1-methyl-6-oxopyridazin-3-yl)imidazo[2,1-b][1,3]benzothiazole-2-carboxamide
SMILESCOc1ccc2c(c1)sc1nc(C(=O)Nc3ccc(=O)n(C)n3)cn12.COc1ccc2c(c1)sc1nc(C(=O)O)cn12.Cn1nc(N)ccc1=O
InChIInChI=1S/C16H13N5O3S.C11H8N2O3S.C5H7N3O/c1-20-14(22)6-5-13(19-20)18-15(23)10-8-21-11-4-3-9(24-2)7-12(11)25-16(21)17-10;1-16-6-2-3-8-9(4-6)17-11-12-7(10(14)15)5-13(8)11;1-8-5(9)3-2-4(6)7-8/h3-8H,1-2H3,(H,18,19,23);2-5H,1H3,(H,14,15);2-3H,1H3,(H2,6,7)
InChIKeyGAJGMTPUGVBZMS-UHFFFAOYSA-N
MW728.77 g/mol
LogP3.52
Rot. Bonds5

About 6-amino-2-methylpyridazin-3-one;6-methoxyimidazo[2,1-b][1,3]benzothiazole-2-carboxylic acid;6-methoxy-N-(1-methyl-6-oxopyridazin-3-yl)imidazo[2,1-b][1,3]benzothiazole-2-carboxamide

6-amino-2-methylpyridazin-3-one;6-methoxyimidazo[2,1-b][1,3]benzothiazole-2-carboxylic acid;6-methoxy-N-(1-methyl-6-oxopyridazin-3-yl)imidazo[2,1-b][1,3]benzothiazole-2-carboxamide (PubChem CID 169425284) has the molecular formula C32H28N10O7S2 and a molecular weight of 728.77 g/mol. Its IUPAC name is 6-amino-2-methylpyridazin-3-one;6-methoxyimidazo[2,1-b][1,3]benzothiazole-2-carboxylic acid;6-methoxy-N-(1-methyl-6-oxopyridazin-3-yl)imidazo[2,1-b][1,3]benzothiazole-2-carboxamide.

Molecular Properties

Compound Name6-amino-2-methylpyridazin-3-one;6-methoxyimidazo[2,1-b][1,3]benzothiazole-2-carboxylic acid;6-methoxy-N-(1-methyl-6-oxopyridazin-3-yl)imidazo[2,1-b][1,3]benzothiazole-2-carboxamide
PubChem CID169425284
Molecular FormulaC32H28N10O7S2
Molecular Weight728.77 g/mol
Exact Mass728.16
IUPAC Name6-amino-2-methylpyridazin-3-one;6-methoxyimidazo[2,1-b][1,3]benzothiazole-2-carboxylic acid;6-methoxy-N-(1-methyl-6-oxopyridazin-3-yl)imidazo[2,1-b][1,3]benzothiazole-2-carboxamide
SMILESCOc1ccc2c(c1)sc1nc(C(=O)Nc3ccc(=O)n(C)n3)cn12.COc1ccc2c(c1)sc1nc(C(=O)O)cn12.Cn1nc(N)ccc1=O
InChIInChI=1S/C16H13N5O3S.C11H8N2O3S.C5H7N3O/c1-20-14(22)6-5-13(19-20)18-15(23)10-8-21-11-4-3-9(24-2)7-12(11)25-16(21)17-10;1-16-6-2-3-8-9(4-6)17-11-12-7(10(14)15)5-13(8)11;1-8-5(9)3-2-4(6)7-8/h3-8H,1-2H3,(H,18,19,23);2-5H,1H3,(H,14,15);2-3H,1H3,(H2,6,7)
InChIKeyGAJGMTPUGVBZMS-UHFFFAOYSA-N
XLogP3.52
TPSA215.26 Ų
H-Bond Donors3
H-Bond Acceptors17
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500728.77
LogP ≤ 53.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1017

Analyze 6-amino-2-methylpyridazin-3-one;6-methoxyimidazo[2,1-b][1,3]benzothiazole-2-carboxylic acid;6-methoxy-N-(1-methyl-6-oxopyridazin-3-yl)imidazo[2,1-b][1,3]benzothiazole-2-carboxamide with MolForge

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Related Compounds

N-methylsulfanyl-6-(trifluoromethoxy)imidazo[2,1-b][1,3]benzothiazole-2-carboxamide
CID 145044061
methyl 6-bromoimidazo[2,1-b][1,3]benzothiazole-2-carboxylate
CID 122367514
6,7-dimethylimidazo[2,1-b][1,3]benzothiazole-2-carboxylic acid
CID 10243643
4-[2-(4-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazol-6-yl]oxy-N-methylpyridine-2-carboxamide
CID 155816468
1-(6-methoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)ethanamine;hydrochloride
CID 82020583
3-amino-6-methoxy-N-(1-methylpyrazol-3-yl)-1-benzothiophene-2-carboxamide
CID 81301403
N-methylsulfonyl-6-(trifluoromethoxy)imidazo[2,1-b][1,3]benzothiazole-2-carboxamide
CID 118971108
cyclopropyl-(7-methoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)methanone
CID 14519703
2-(4-ethylphenyl)-6-methoxyimidazo[2,1-b][1,3]benzothiazole
CID 19209631
7-chloroimidazo[2,1-b][1,3]benzothiazole-2-carboxylic acid
CID 118971242
6-bromo-N-[(2E)-4-methoxy-1-methyliminopenta-2,4-dien-2-yl]imidazo[2,1-b][1,3]benzothiazole-2-carboxamide
CID 145270029
N-(3-imidazo[2,1-b][1,3]benzothiazol-2-ylphenyl)-4-methoxybenzamide
CID 1480560

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-methylpyridazin-3-one;6-methoxyimidazo[2,1-b][1,3]benzothiazole-2-carboxylic acid;6-methoxy-N-(1-methyl-6-oxopyridazin-3-yl)imidazo[2,1-b][1,3]benzothiazole-2-carboxamide?
The IUPAC name of 6-amino-2-methylpyridazin-3-one;6-methoxyimidazo[2,1-b][1,3]benzothiazole-2-carboxylic acid;6-methoxy-N-(1-methyl-6-oxopyridazin-3-yl)imidazo[2,1-b][1,3]benzothiazole-2-carboxamide (CID 169425284) is 6-amino-2-methylpyridazin-3-one;6-methoxyimidazo[2,1-b][1,3]benzothiazole-2-carboxylic acid;6-methoxy-N-(1-methyl-6-oxopyridazin-3-yl)imidazo[2,1-b][1,3]benzothiazole-2-carboxamide.
What is the SMILES notation for 6-amino-2-methylpyridazin-3-one;6-methoxyimidazo[2,1-b][1,3]benzothiazole-2-carboxylic acid;6-methoxy-N-(1-methyl-6-oxopyridazin-3-yl)imidazo[2,1-b][1,3]benzothiazole-2-carboxamide?
The canonical SMILES for 6-amino-2-methylpyridazin-3-one;6-methoxyimidazo[2,1-b][1,3]benzothiazole-2-carboxylic acid;6-methoxy-N-(1-methyl-6-oxopyridazin-3-yl)imidazo[2,1-b][1,3]benzothiazole-2-carboxamide is COc1ccc2c(c1)sc1nc(C(=O)Nc3ccc(=O)n(C)n3)cn12.COc1ccc2c(c1)sc1nc(C(=O)O)cn12.Cn1nc(N)ccc1=O.
What is the InChIKey of 6-amino-2-methylpyridazin-3-one;6-methoxyimidazo[2,1-b][1,3]benzothiazole-2-carboxylic acid;6-methoxy-N-(1-methyl-6-oxopyridazin-3-yl)imidazo[2,1-b][1,3]benzothiazole-2-carboxamide?
The InChIKey is GAJGMTPUGVBZMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5O3S.C11H8N2O3S.C5H7N3O/c1-20-14(22)6-5-13(19-20)18-15(23)10-8-21-11-4-3-9(24-2)7-12(11)25-16(21)17-10;1-16-6-2-3-8-9(4-6)17-11-12-7(10(14)15)5-13(8)11;1-8-5(9)3-2-4(6)7-8/h3-8H,1-2H3,(H,18,19,23);2-5H,1H3,(H,14,15);2-3H,1H3,(H2,6,7).
What are the key properties of 6-amino-2-methylpyridazin-3-one;6-methoxyimidazo[2,1-b][1,3]benzothiazole-2-carboxylic acid;6-methoxy-N-(1-methyl-6-oxopyridazin-3-yl)imidazo[2,1-b][1,3]benzothiazole-2-carboxamide?
6-amino-2-methylpyridazin-3-one;6-methoxyimidazo[2,1-b][1,3]benzothiazole-2-carboxylic acid;6-methoxy-N-(1-methyl-6-oxopyridazin-3-yl)imidazo[2,1-b][1,3]benzothiazole-2-carboxamide has a molecular weight of 728.77 g/mol, XLogP of 3.52, 5 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-methylpyridazin-3-one;6-methoxyimidazo[2,1-b][1,3]benzothiazole-2-carboxylic acid;6-methoxy-N-(1-methyl-6-oxopyridazin-3-yl)imidazo[2,1-b][1,3]benzothiazole-2-carboxamide is sourced from PubChem (CID 169425284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).