2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide

C23H20N4O2S — CID 121052076

IUPAC2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
SMILESO=C(Cn1nc(-c2cccc3ccccc23)ccc1=O)Nc1nc2c(s1)CCCC2
InChIInChI=1S/C23H20N4O2S/c28-21(25-23-24-19-10-3-4-11-20(19)30-23)14-27-22(29)13-12-18(26-27)17-9-5-7-15-6-1-2-8-16(15)17/h1-2,5-9,12-13H,3-4,10-11,14H2,(H,24,25,28)
InChIKeyPZXXJQKGXCTIMJ-UHFFFAOYSA-N
MW416.51 g/mol
LogP4.04
Rot. Bonds4

About 2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide

2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide (PubChem CID 121052076) has the molecular formula C23H20N4O2S and a molecular weight of 416.51 g/mol. Its IUPAC name is 2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
PubChem CID121052076
Molecular FormulaC23H20N4O2S
Molecular Weight416.51 g/mol
Exact Mass416.13
IUPAC Name2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
SMILESO=C(Cn1nc(-c2cccc3ccccc23)ccc1=O)Nc1nc2c(s1)CCCC2
InChIInChI=1S/C23H20N4O2S/c28-21(25-23-24-19-10-3-4-11-20(19)30-23)14-27-22(29)13-12-18(26-27)17-9-5-7-15-6-1-2-8-16(15)17/h1-2,5-9,12-13H,3-4,10-11,14H2,(H,24,25,28)
InChIKeyPZXXJQKGXCTIMJ-UHFFFAOYSA-N
XLogP4.04
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.51
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-(2-chlorophenyl)-6-oxopyridazin-1-yl]-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)acetamide
CID 53367656
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-[3-(4-fluoro-2-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 52901397
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-[3-(2-fluoro-4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 52901080
2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)-N-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]acetamide
CID 122280800
N-(4-cyanophenyl)-2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)acetamide
CID 121052176
2-[[2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)acetyl]amino]-2-phenylacetic acid
CID 53371090
ethyl 2-[2-[[2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 41376514
N-(1H-benzimidazol-2-yl)-2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)acetamide
CID 121052073
1-benzyl-6-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyridazine-3-carboxamide
CID 2482039
2-naphthalen-1-yl-N-[2-oxo-2-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-ylamino)ethyl]acetamide
CID 16606453
methyl (2S)-3-methyl-2-[[2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)acetyl]amino]butanoate
CID 91640855
2-(2,4-dioxoimidazolidin-1-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 92548275

Frequently Asked Questions

What is the IUPAC name of 2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide?
The IUPAC name of 2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide (CID 121052076) is 2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide.
What is the SMILES notation for 2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide?
The canonical SMILES for 2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide is O=C(Cn1nc(-c2cccc3ccccc23)ccc1=O)Nc1nc2c(s1)CCCC2.
What is the InChIKey of 2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide?
The InChIKey is PZXXJQKGXCTIMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O2S/c28-21(25-23-24-19-10-3-4-11-20(19)30-23)14-27-22(29)13-12-18(26-27)17-9-5-7-15-6-1-2-8-16(15)17/h1-2,5-9,12-13H,3-4,10-11,14H2,(H,24,25,28).
What are the key properties of 2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide?
2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide has a molecular weight of 416.51 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 121052076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).