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

C19H17N7OS2 — CID 16822523

IUPACN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[6-(4-imidazol-1-ylphenyl)pyridazin-3-yl]sulfanylacetamide
SMILESCCc1nnc(NC(=O)CSc2ccc(-c3ccc(-n4ccnc4)cc3)nn2)s1
InChIInChI=1S/C19H17N7OS2/c1-2-17-23-25-19(29-17)21-16(27)11-28-18-8-7-15(22-24-18)13-3-5-14(6-4-13)26-10-9-20-12-26/h3-10,12H,2,11H2,1H3,(H,21,25,27)
InChIKeyBDXJPRQTGHTDFL-UHFFFAOYSA-N
MW423.53 g/mol
LogP3.47
Rot. Bonds7

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

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[6-(4-imidazol-1-ylphenyl)pyridazin-3-yl]sulfanylacetamide (PubChem CID 16822523) has the molecular formula C19H17N7OS2 and a molecular weight of 423.53 g/mol. Its IUPAC name is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[6-(4-imidazol-1-ylphenyl)pyridazin-3-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[6-(4-imidazol-1-ylphenyl)pyridazin-3-yl]sulfanylacetamide
PubChem CID16822523
Molecular FormulaC19H17N7OS2
Molecular Weight423.53 g/mol
Exact Mass423.09
IUPAC NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[6-(4-imidazol-1-ylphenyl)pyridazin-3-yl]sulfanylacetamide
SMILESCCc1nnc(NC(=O)CSc2ccc(-c3ccc(-n4ccnc4)cc3)nn2)s1
InChIInChI=1S/C19H17N7OS2/c1-2-17-23-25-19(29-17)21-16(27)11-28-18-8-7-15(22-24-18)13-3-5-14(6-4-13)26-10-9-20-12-26/h3-10,12H,2,11H2,1H3,(H,21,25,27)
InChIKeyBDXJPRQTGHTDFL-UHFFFAOYSA-N
XLogP3.47
TPSA98.48 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.53
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

2-[6-(4-imidazol-1-ylphenyl)pyridazin-3-yl]sulfanyl-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 41005994
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanylacetamide
CID 7519631
2-(6-acetamidopyridazin-3-yl)sulfanyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
CID 42138969
2-[6-(4-imidazol-1-ylphenyl)pyridazin-3-yl]sulfanyl-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 16832574
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[6-(4-phenylphenyl)pyridazin-3-yl]sulfanylacetamide
CID 43936632
2-[6-(4-imidazol-1-ylphenyl)pyridazin-3-yl]sulfanyl-1-morpholin-4-ylethanone
CID 7519581
2-(6-imidazol-1-ylpyridazin-3-yl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 56724875
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(2-methylphenyl)sulfanylacetamide
CID 4549395
N-(4-butylphenyl)-2-[6-(4-ethylphenyl)pyridazin-3-yl]sulfanylacetamide
CID 43936708
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[[6-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]acetamide
CID 16829331
N-(4-ethylphenyl)-2-(6-phenylpyridazin-3-yl)sulfanylacetamide
CID 8541081
N-(4-fluorophenyl)-2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylacetamide
CID 7502831

Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[6-(4-imidazol-1-ylphenyl)pyridazin-3-yl]sulfanylacetamide?
The IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[6-(4-imidazol-1-ylphenyl)pyridazin-3-yl]sulfanylacetamide (CID 16822523) is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[6-(4-imidazol-1-ylphenyl)pyridazin-3-yl]sulfanylacetamide.
What is the SMILES notation for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[6-(4-imidazol-1-ylphenyl)pyridazin-3-yl]sulfanylacetamide?
The canonical SMILES for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[6-(4-imidazol-1-ylphenyl)pyridazin-3-yl]sulfanylacetamide is CCc1nnc(NC(=O)CSc2ccc(-c3ccc(-n4ccnc4)cc3)nn2)s1.
What is the InChIKey of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[6-(4-imidazol-1-ylphenyl)pyridazin-3-yl]sulfanylacetamide?
The InChIKey is BDXJPRQTGHTDFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N7OS2/c1-2-17-23-25-19(29-17)21-16(27)11-28-18-8-7-15(22-24-18)13-3-5-14(6-4-13)26-10-9-20-12-26/h3-10,12H,2,11H2,1H3,(H,21,25,27).
What are the key properties of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[6-(4-imidazol-1-ylphenyl)pyridazin-3-yl]sulfanylacetamide?
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[6-(4-imidazol-1-ylphenyl)pyridazin-3-yl]sulfanylacetamide has a molecular weight of 423.53 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[6-(4-imidazol-1-ylphenyl)pyridazin-3-yl]sulfanylacetamide is sourced from PubChem (CID 16822523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).