N-ethyl-2-[3-[5-(6-methyl-3-pyridinyl)-1,3,4-thiadiazol-2-yl]-6-oxopyridazin-1-yl]acetamide

C16H16N6O2S — CID 168893409

IUPACN-ethyl-2-[3-[5-(6-methyl-3-pyridinyl)-1,3,4-thiadiazol-2-yl]-6-oxopyridazin-1-yl]acetamide
SMILESCCNC(=O)Cn1nc(-c2nnc(-c3ccc(C)nc3)s2)ccc1=O
InChIInChI=1S/C16H16N6O2S/c1-3-17-13(23)9-22-14(24)7-6-12(21-22)16-20-19-15(25-16)11-5-4-10(2)18-8-11/h4-8H,3,9H2,1-2H3,(H,17,23)
InChIKeyMBYFBCVIELESKA-UHFFFAOYSA-N
MW356.41 g/mol
LogP1.27
Rot. Bonds5

About N-ethyl-2-[3-[5-(6-methyl-3-pyridinyl)-1,3,4-thiadiazol-2-yl]-6-oxopyridazin-1-yl]acetamide

N-ethyl-2-[3-[5-(6-methyl-3-pyridinyl)-1,3,4-thiadiazol-2-yl]-6-oxopyridazin-1-yl]acetamide (PubChem CID 168893409) has the molecular formula C16H16N6O2S and a molecular weight of 356.41 g/mol. Its IUPAC name is N-ethyl-2-[3-[5-(6-methyl-3-pyridinyl)-1,3,4-thiadiazol-2-yl]-6-oxopyridazin-1-yl]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[3-[5-(6-methyl-3-pyridinyl)-1,3,4-thiadiazol-2-yl]-6-oxopyridazin-1-yl]acetamide
PubChem CID168893409
Molecular FormulaC16H16N6O2S
Molecular Weight356.41 g/mol
Exact Mass356.11
IUPAC NameN-ethyl-2-[3-[5-(6-methyl-3-pyridinyl)-1,3,4-thiadiazol-2-yl]-6-oxopyridazin-1-yl]acetamide
SMILESCCNC(=O)Cn1nc(-c2nnc(-c3ccc(C)nc3)s2)ccc1=O
InChIInChI=1S/C16H16N6O2S/c1-3-17-13(23)9-22-14(24)7-6-12(21-22)16-20-19-15(25-16)11-5-4-10(2)18-8-11/h4-8H,3,9H2,1-2H3,(H,17,23)
InChIKeyMBYFBCVIELESKA-UHFFFAOYSA-N
XLogP1.27
TPSA102.66 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.41
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-ethyl-2-[3-[5-(6-methyl-3-pyridinyl)-1,2,4-thiadiazol-3-yl]-6-oxopyridazin-1-yl]acetamide
CID 168893465
2-[3-[6-[cyclobutyl(methyl)amino]-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide
CID 148562605
2-[[2-[3-(4-ethylphenyl)-6-oxopyridazin-1-yl]acetyl]amino]acetamide
CID 121051022
N-ethyl-2-[3-[6-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide
CID 147150407
ethyl 2-[[2-[3-(4-ethylphenyl)-6-oxopyridazin-1-yl]acetyl]amino]acetate
CID 7662975
2-[[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]acetyl]amino]acetamide
CID 121050563
2-[3-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]-6-oxopyridazin-1-yl]-N-ethylacetamide
CID 166850822
2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]acetamide
CID 121122269
ethyl 2-[[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetyl]amino]acetate
CID 7664397
2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-ethylacetamide
CID 90517813
2-(3-methyl-6-oxopyridazin-1-yl)-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]acetamide
CID 121033306
ethyl 2-[[2-[3-(3,4-dimethylphenyl)-6-oxopyridazin-1-yl]acetyl]amino]acetate
CID 7666096

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[3-[5-(6-methyl-3-pyridinyl)-1,3,4-thiadiazol-2-yl]-6-oxopyridazin-1-yl]acetamide?
The IUPAC name of N-ethyl-2-[3-[5-(6-methyl-3-pyridinyl)-1,3,4-thiadiazol-2-yl]-6-oxopyridazin-1-yl]acetamide (CID 168893409) is N-ethyl-2-[3-[5-(6-methyl-3-pyridinyl)-1,3,4-thiadiazol-2-yl]-6-oxopyridazin-1-yl]acetamide.
What is the SMILES notation for N-ethyl-2-[3-[5-(6-methyl-3-pyridinyl)-1,3,4-thiadiazol-2-yl]-6-oxopyridazin-1-yl]acetamide?
The canonical SMILES for N-ethyl-2-[3-[5-(6-methyl-3-pyridinyl)-1,3,4-thiadiazol-2-yl]-6-oxopyridazin-1-yl]acetamide is CCNC(=O)Cn1nc(-c2nnc(-c3ccc(C)nc3)s2)ccc1=O.
What is the InChIKey of N-ethyl-2-[3-[5-(6-methyl-3-pyridinyl)-1,3,4-thiadiazol-2-yl]-6-oxopyridazin-1-yl]acetamide?
The InChIKey is MBYFBCVIELESKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O2S/c1-3-17-13(23)9-22-14(24)7-6-12(21-22)16-20-19-15(25-16)11-5-4-10(2)18-8-11/h4-8H,3,9H2,1-2H3,(H,17,23).
What are the key properties of N-ethyl-2-[3-[5-(6-methyl-3-pyridinyl)-1,3,4-thiadiazol-2-yl]-6-oxopyridazin-1-yl]acetamide?
N-ethyl-2-[3-[5-(6-methyl-3-pyridinyl)-1,3,4-thiadiazol-2-yl]-6-oxopyridazin-1-yl]acetamide has a molecular weight of 356.41 g/mol, XLogP of 1.27, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[3-[5-(6-methyl-3-pyridinyl)-1,3,4-thiadiazol-2-yl]-6-oxopyridazin-1-yl]acetamide is sourced from PubChem (CID 168893409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).