N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)acetamide

C27H19N5O2S — CID 121052134

IUPACN-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)acetamide
SMILESO=C(Cn1nc(-c2cccc3ccccc23)ccc1=O)Nc1cccc(-c2cn3ccsc3n2)c1
InChIInChI=1S/C27H19N5O2S/c33-25(28-20-8-3-7-19(15-20)24-16-31-13-14-35-27(31)29-24)17-32-26(34)12-11-23(30-32)22-10-4-6-18-5-1-2-9-21(18)22/h1-16H,17H2,(H,28,33)
InChIKeyRDGYUJNPCGXHLP-UHFFFAOYSA-N
MW477.55 g/mol
LogP5.08
Rot. Bonds5

About N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)acetamide

N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)acetamide (PubChem CID 121052134) has the molecular formula C27H19N5O2S and a molecular weight of 477.55 g/mol. Its IUPAC name is N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)acetamide
PubChem CID121052134
Molecular FormulaC27H19N5O2S
Molecular Weight477.55 g/mol
Exact Mass477.13
IUPAC NameN-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)acetamide
SMILESO=C(Cn1nc(-c2cccc3ccccc23)ccc1=O)Nc1cccc(-c2cn3ccsc3n2)c1
InChIInChI=1S/C27H19N5O2S/c33-25(28-20-8-3-7-19(15-20)24-16-31-13-14-35-27(31)29-24)17-32-26(34)12-11-23(30-32)22-10-4-6-18-5-1-2-9-21(18)22/h1-16H,17H2,(H,28,33)
InChIKeyRDGYUJNPCGXHLP-UHFFFAOYSA-N
XLogP5.08
TPSA81.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.55
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 121051824
N-(3-fluorophenyl)-2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)acetamide
CID 7664874
N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-indol-1-ylacetamide
CID 45497443
N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-naphthalen-2-yloxyacetamide
CID 40506163
N-(4-cyanophenyl)-2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)acetamide
CID 121052176
2-(3,4-dimethoxyphenyl)-N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)acetamide
CID 40506189
3-(1H-benzimidazol-2-yl)-N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)propanamide
CID 46974271
2-[[2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)acetyl]amino]-2-phenylacetic acid
CID 53371090
N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-4-iodobenzamide
CID 983313
N-(1H-benzimidazol-2-yl)-2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)acetamide
CID 121052073
2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]acetamide
CID 121052126
N-naphthalen-1-yl-2-(3-naphthalen-2-yl-6-oxopyridazin-1-yl)acetamide
CID 8699032

Frequently Asked Questions

What is the IUPAC name of N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)acetamide?
The IUPAC name of N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)acetamide (CID 121052134) is N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)acetamide.
What is the SMILES notation for N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)acetamide?
The canonical SMILES for N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)acetamide is O=C(Cn1nc(-c2cccc3ccccc23)ccc1=O)Nc1cccc(-c2cn3ccsc3n2)c1.
What is the InChIKey of N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)acetamide?
The InChIKey is RDGYUJNPCGXHLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19N5O2S/c33-25(28-20-8-3-7-19(15-20)24-16-31-13-14-35-27(31)29-24)17-32-26(34)12-11-23(30-32)22-10-4-6-18-5-1-2-9-21(18)22/h1-16H,17H2,(H,28,33).
What are the key properties of N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)acetamide?
N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)acetamide has a molecular weight of 477.55 g/mol, XLogP of 5.08, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)acetamide is sourced from PubChem (CID 121052134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).