N-(furan-2-ylmethyl)-5-(tetrazolo[1,5-b]pyridazin-6-ylsulfanyl)-1,3,4-thiadiazol-2-amine

C11H8N8OS2 — CID 24623838

IUPACN-(furan-2-ylmethyl)-5-(tetrazolo[1,5-b]pyridazin-6-ylsulfanyl)-1,3,4-thiadiazol-2-amine
SMILESc1coc(CNc2nnc(Sc3ccc4nnnn4n3)s2)c1
InChIInChI=1S/C11H8N8OS2/c1-2-7(20-5-1)6-12-10-14-15-11(22-10)21-9-4-3-8-13-17-18-19(8)16-9/h1-5H,6H2,(H,12,14)
InChIKeyCNYQJMIQSXZCQM-UHFFFAOYSA-N
MW332.37 g/mol
LogP1.73
Rot. Bonds5

About N-(furan-2-ylmethyl)-5-(tetrazolo[1,5-b]pyridazin-6-ylsulfanyl)-1,3,4-thiadiazol-2-amine

N-(furan-2-ylmethyl)-5-(tetrazolo[1,5-b]pyridazin-6-ylsulfanyl)-1,3,4-thiadiazol-2-amine (PubChem CID 24623838) has the molecular formula C11H8N8OS2 and a molecular weight of 332.37 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-5-(tetrazolo[1,5-b]pyridazin-6-ylsulfanyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-5-(tetrazolo[1,5-b]pyridazin-6-ylsulfanyl)-1,3,4-thiadiazol-2-amine
PubChem CID24623838
Molecular FormulaC11H8N8OS2
Molecular Weight332.37 g/mol
Exact Mass332.03
IUPAC NameN-(furan-2-ylmethyl)-5-(tetrazolo[1,5-b]pyridazin-6-ylsulfanyl)-1,3,4-thiadiazol-2-amine
SMILESc1coc(CNc2nnc(Sc3ccc4nnnn4n3)s2)c1
InChIInChI=1S/C11H8N8OS2/c1-2-7(20-5-1)6-12-10-14-15-11(22-10)21-9-4-3-8-13-17-18-19(8)16-9/h1-5H,6H2,(H,12,14)
InChIKeyCNYQJMIQSXZCQM-UHFFFAOYSA-N
XLogP1.73
TPSA106.92 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.37
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze N-(furan-2-ylmethyl)-5-(tetrazolo[1,5-b]pyridazin-6-ylsulfanyl)-1,3,4-thiadiazol-2-amine with MolForge

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Related Compounds

N-(2-methoxyethyl)-5-(tetrazolo[1,5-b]pyridazin-6-ylsulfanyl)-1,3,4-thiadiazol-2-amine
CID 16582461
5-benzhydrylsulfanyl-N-(furan-2-ylmethyl)-1,3,4-thiadiazol-2-amine
CID 26027408
5-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-(furan-2-ylmethyl)-1,3,4-thiadiazol-2-amine
CID 30011608
N-(furan-2-ylmethyl)-5-(pyridin-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine
CID 26027980
2-[[5-(furan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-phenylethanol
CID 110879521
2-[[2-[[5-(furan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]-N-propan-2-ylacetamide
CID 8542146
N-(furan-2-ylmethyl)-5-[1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 51289574
2-[[5-(furan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-prop-2-enylacetamide
CID 51210249
N-(2-cyanopropan-2-yl)-2-[[5-(furan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-methylacetamide
CID 8541976
5-(2,4-dinitrophenyl)sulfanyl-N-(furan-2-ylmethyl)-1,3,4-thiadiazol-2-amine
CID 31259202
2-[[5-(furan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-(4-methylphenyl)propan-1-one
CID 78651007
N'-[2-[[5-(furan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]benzohydrazide
CID 40674283

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-5-(tetrazolo[1,5-b]pyridazin-6-ylsulfanyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-(furan-2-ylmethyl)-5-(tetrazolo[1,5-b]pyridazin-6-ylsulfanyl)-1,3,4-thiadiazol-2-amine (CID 24623838) is N-(furan-2-ylmethyl)-5-(tetrazolo[1,5-b]pyridazin-6-ylsulfanyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-(furan-2-ylmethyl)-5-(tetrazolo[1,5-b]pyridazin-6-ylsulfanyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-(furan-2-ylmethyl)-5-(tetrazolo[1,5-b]pyridazin-6-ylsulfanyl)-1,3,4-thiadiazol-2-amine is c1coc(CNc2nnc(Sc3ccc4nnnn4n3)s2)c1.
What is the InChIKey of N-(furan-2-ylmethyl)-5-(tetrazolo[1,5-b]pyridazin-6-ylsulfanyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is CNYQJMIQSXZCQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N8OS2/c1-2-7(20-5-1)6-12-10-14-15-11(22-10)21-9-4-3-8-13-17-18-19(8)16-9/h1-5H,6H2,(H,12,14).
What are the key properties of N-(furan-2-ylmethyl)-5-(tetrazolo[1,5-b]pyridazin-6-ylsulfanyl)-1,3,4-thiadiazol-2-amine?
N-(furan-2-ylmethyl)-5-(tetrazolo[1,5-b]pyridazin-6-ylsulfanyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 332.37 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-5-(tetrazolo[1,5-b]pyridazin-6-ylsulfanyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 24623838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).