N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanylacetamide

C18H15N7OS2 — CID 7519631

IUPACN-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanylacetamide
SMILESCc1nnc(NC(=O)CSc2ccc(-c3ccc(-n4cccn4)cc3)nn2)s1
InChIInChI=1S/C18H15N7OS2/c1-12-21-24-18(28-12)20-16(26)11-27-17-8-7-15(22-23-17)13-3-5-14(6-4-13)25-10-2-9-19-25/h2-10H,11H2,1H3,(H,20,24,26)
InChIKeyAQCOBSWHBBHFFE-UHFFFAOYSA-N
MW409.50 g/mol
LogP3.22
Rot. Bonds6

About N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanylacetamide

N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanylacetamide (PubChem CID 7519631) has the molecular formula C18H15N7OS2 and a molecular weight of 409.50 g/mol. Its IUPAC name is N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanylacetamide
PubChem CID7519631
Molecular FormulaC18H15N7OS2
Molecular Weight409.50 g/mol
Exact Mass409.08
IUPAC NameN-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanylacetamide
SMILESCc1nnc(NC(=O)CSc2ccc(-c3ccc(-n4cccn4)cc3)nn2)s1
InChIInChI=1S/C18H15N7OS2/c1-12-21-24-18(28-12)20-16(26)11-27-17-8-7-15(22-23-17)13-3-5-14(6-4-13)25-10-2-9-19-25/h2-10H,11H2,1H3,(H,20,24,26)
InChIKeyAQCOBSWHBBHFFE-UHFFFAOYSA-N
XLogP3.22
TPSA98.48 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.50
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[6-(4-phenylphenyl)pyridazin-3-yl]sulfanylacetamide
CID 43936632
N-(2-methylphenyl)-2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanylacetamide
CID 7519599
2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanyl-N-[4-(trifluoromethyl)phenyl]acetamide
CID 16822557
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[6-(4-imidazol-1-ylphenyl)pyridazin-3-yl]sulfanylacetamide
CID 16822523
2-[6-(2,5-dimethylphenyl)pyridazin-3-yl]sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 40701033
ethyl 4-[2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanylacetyl]piperazine-1-carboxylate
CID 41006015
3-[(3-methylphenyl)methylsulfanyl]-6-(4-pyrazol-1-ylphenyl)pyridazine
CID 41005999
N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2-(4-pyrazol-1-ylphenyl)acetamide
CID 46472377
1-(4-nitrophenyl)-2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanylethanone
CID 16822560
N-(6-methyl-1,3-benzothiazol-2-yl)-2-[6-(4-phenylphenyl)pyridazin-3-yl]sulfanylacetamide
CID 43936631
N-(4-fluorophenyl)-2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylacetamide
CID 7502831
N-(2,3-dimethylphenyl)-2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylacetamide
CID 8542992

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanylacetamide?
The IUPAC name of N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanylacetamide (CID 7519631) is N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanylacetamide.
What is the SMILES notation for N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanylacetamide?
The canonical SMILES for N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanylacetamide is Cc1nnc(NC(=O)CSc2ccc(-c3ccc(-n4cccn4)cc3)nn2)s1.
What is the InChIKey of N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanylacetamide?
The InChIKey is AQCOBSWHBBHFFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N7OS2/c1-12-21-24-18(28-12)20-16(26)11-27-17-8-7-15(22-23-17)13-3-5-14(6-4-13)25-10-2-9-19-25/h2-10H,11H2,1H3,(H,20,24,26).
What are the key properties of N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanylacetamide?
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanylacetamide has a molecular weight of 409.50 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanylacetamide is sourced from PubChem (CID 7519631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).