N-(2-methyl-1,3-benzothiazol-5-yl)-7,8-dihydro-5H-pyrano[4,3-c]pyridazine-3-carboxamide

C16H14N4O2S — CID 154583818

IUPACN-(2-methyl-1,3-benzothiazol-5-yl)-7,8-dihydro-5H-pyrano[4,3-c]pyridazine-3-carboxamide
SMILESCc1nc2cc(NC(=O)c3cc4c(nn3)CCOC4)ccc2s1
InChIInChI=1S/C16H14N4O2S/c1-9-17-13-7-11(2-3-15(13)23-9)18-16(21)14-6-10-8-22-5-4-12(10)19-20-14/h2-3,6-7H,4-5,8H2,1H3,(H,18,21)
InChIKeyDTYDSTANLYJRAM-UHFFFAOYSA-N
MW326.38 g/mol
LogP2.72
Rot. Bonds2

About N-(2-methyl-1,3-benzothiazol-5-yl)-7,8-dihydro-5H-pyrano[4,3-c]pyridazine-3-carboxamide

N-(2-methyl-1,3-benzothiazol-5-yl)-7,8-dihydro-5H-pyrano[4,3-c]pyridazine-3-carboxamide (PubChem CID 154583818) has the molecular formula C16H14N4O2S and a molecular weight of 326.38 g/mol. Its IUPAC name is N-(2-methyl-1,3-benzothiazol-5-yl)-7,8-dihydro-5H-pyrano[4,3-c]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-1,3-benzothiazol-5-yl)-7,8-dihydro-5H-pyrano[4,3-c]pyridazine-3-carboxamide
PubChem CID154583818
Molecular FormulaC16H14N4O2S
Molecular Weight326.38 g/mol
Exact Mass326.08
IUPAC NameN-(2-methyl-1,3-benzothiazol-5-yl)-7,8-dihydro-5H-pyrano[4,3-c]pyridazine-3-carboxamide
SMILESCc1nc2cc(NC(=O)c3cc4c(nn3)CCOC4)ccc2s1
InChIInChI=1S/C16H14N4O2S/c1-9-17-13-7-11(2-3-15(13)23-9)18-16(21)14-6-10-8-22-5-4-12(10)19-20-14/h2-3,6-7H,4-5,8H2,1H3,(H,18,21)
InChIKeyDTYDSTANLYJRAM-UHFFFAOYSA-N
XLogP2.72
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(2-methyl-1,3-benzothiazol-5-yl)-7,8-dihydro-5H-pyrano[4,3-c]pyridazine-3-carboxamide with MolForge

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Related Compounds

1-methyl-N-(2-methyl-1,3-benzothiazol-5-yl)pyrazole-3-carboxamide
CID 42110934
N-(2-methyl-1,3-benzothiazol-5-yl)-5-sulfamoylfuran-2-carboxamide
CID 112525636
N-(2-methyl-1,3-benzothiazol-5-yl)-4-morpholin-4-ylsulfonylbenzamide
CID 4616787
6-imidazol-1-yl-N-(2-methyl-1,3-benzothiazol-5-yl)pyridazine-3-carboxamide
CID 71791752
5-methyl-N-(2-methyl-1,3-benzothiazol-5-yl)-1,3-oxazole-2-carboxamide
CID 112525625
N-(2-methyl-1,3-benzothiazol-5-yl)thiophene-2-carboxamide
CID 110442376
6-chloro-N-(2-methyl-1,3-benzothiazol-6-yl)pyridazine-3-carboxamide
CID 61042126
3-fluoro-4-methyl-N-(2-methyl-1,3-benzothiazol-5-yl)benzamide
CID 11301035
1-(3,4-dihydroxyphenyl)-3-(2-methyl-1,3-benzothiazol-5-yl)urea
CID 142259708
4-methyl-N-(2-methyl-1,3-benzothiazol-5-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 72858123
4-(2,2-dichlorocyclopropyl)-2-methyl-N-(2-methyl-1,3-benzothiazol-5-yl)benzamide
CID 11854526
3-methyl-N-(2-methyl-1,3-benzothiazol-5-yl)butanamide
CID 110442147

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1,3-benzothiazol-5-yl)-7,8-dihydro-5H-pyrano[4,3-c]pyridazine-3-carboxamide?
The IUPAC name of N-(2-methyl-1,3-benzothiazol-5-yl)-7,8-dihydro-5H-pyrano[4,3-c]pyridazine-3-carboxamide (CID 154583818) is N-(2-methyl-1,3-benzothiazol-5-yl)-7,8-dihydro-5H-pyrano[4,3-c]pyridazine-3-carboxamide.
What is the SMILES notation for N-(2-methyl-1,3-benzothiazol-5-yl)-7,8-dihydro-5H-pyrano[4,3-c]pyridazine-3-carboxamide?
The canonical SMILES for N-(2-methyl-1,3-benzothiazol-5-yl)-7,8-dihydro-5H-pyrano[4,3-c]pyridazine-3-carboxamide is Cc1nc2cc(NC(=O)c3cc4c(nn3)CCOC4)ccc2s1.
What is the InChIKey of N-(2-methyl-1,3-benzothiazol-5-yl)-7,8-dihydro-5H-pyrano[4,3-c]pyridazine-3-carboxamide?
The InChIKey is DTYDSTANLYJRAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2S/c1-9-17-13-7-11(2-3-15(13)23-9)18-16(21)14-6-10-8-22-5-4-12(10)19-20-14/h2-3,6-7H,4-5,8H2,1H3,(H,18,21).
What are the key properties of N-(2-methyl-1,3-benzothiazol-5-yl)-7,8-dihydro-5H-pyrano[4,3-c]pyridazine-3-carboxamide?
N-(2-methyl-1,3-benzothiazol-5-yl)-7,8-dihydro-5H-pyrano[4,3-c]pyridazine-3-carboxamide has a molecular weight of 326.38 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1,3-benzothiazol-5-yl)-7,8-dihydro-5H-pyrano[4,3-c]pyridazine-3-carboxamide is sourced from PubChem (CID 154583818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).