N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylacetamide

C14H12N6OS2 — CID 7207414

IUPACN-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylacetamide
SMILESCc1nnc(NC(=O)CSc2ccc(-c3cccnc3)nn2)s1
InChIInChI=1S/C14H12N6OS2/c1-9-17-20-14(23-9)16-12(21)8-22-13-5-4-11(18-19-13)10-3-2-6-15-7-10/h2-7H,8H2,1H3,(H,16,20,21)
InChIKeyLASZGVMIMKQDIM-UHFFFAOYSA-N
MW344.43 g/mol
LogP2.43
Rot. Bonds5

About N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylacetamide

N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylacetamide (PubChem CID 7207414) has the molecular formula C14H12N6OS2 and a molecular weight of 344.43 g/mol. Its IUPAC name is N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylacetamide
PubChem CID7207414
Molecular FormulaC14H12N6OS2
Molecular Weight344.43 g/mol
Exact Mass344.05
IUPAC NameN-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylacetamide
SMILESCc1nnc(NC(=O)CSc2ccc(-c3cccnc3)nn2)s1
InChIInChI=1S/C14H12N6OS2/c1-9-17-20-14(23-9)16-12(21)8-22-13-5-4-11(18-19-13)10-3-2-6-15-7-10/h2-7H,8H2,1H3,(H,16,20,21)
InChIKeyLASZGVMIMKQDIM-UHFFFAOYSA-N
XLogP2.43
TPSA93.55 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.43
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

Acetamide, N-(5-(4-pyridyl)-1,3,4-thiadiazol-2-yl)-
CID 19289
2-(6-pyridin-2-ylpyridazin-3-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide
CID 7207400
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylacetamide
CID 7207416
2-phenyl-N-[5-[4-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 74982575
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-pyridin-2-ylsulfanylacetamide
CID 653220
3-Methyl-but-2-enoic acid (5-pyridin-3-yl-[1,3,4]thiadiazol-2-yl)-amide
CID 653655
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-pyridin-2-ylsulfanylacetamide
CID 889407
N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-ylacetamide
CID 1245524
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-((3-(pyridin-3-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)acetamide
CID 16194575
2-((6-(4-(1H-pyrazol-1-yl)phenyl)pyridazin-3-yl)thio)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
CID 18573978
2-phenyl-N-[5-[2-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]ethylsulfanyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 162658100
2-phenyl-N-[5-[2-[[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]ethyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 162661966

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylacetamide?
The IUPAC name of N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylacetamide (CID 7207414) is N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylacetamide.
What is the SMILES notation for N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylacetamide?
The canonical SMILES for N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylacetamide is Cc1nnc(NC(=O)CSc2ccc(-c3cccnc3)nn2)s1.
What is the InChIKey of N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylacetamide?
The InChIKey is LASZGVMIMKQDIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N6OS2/c1-9-17-20-14(23-9)16-12(21)8-22-13-5-4-11(18-19-13)10-3-2-6-15-7-10/h2-7H,8H2,1H3,(H,16,20,21).
What are the key properties of N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylacetamide?
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylacetamide has a molecular weight of 344.43 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylacetamide is sourced from PubChem (CID 7207414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).