N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-pyridin-2-ylsulfanylacetamide

C13H16N4OS2 — CID 889407

IUPACN-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-pyridin-2-ylsulfanylacetamide
SMILESCC(C)Cc1nnc(NC(=O)CSc2ccccn2)s1
InChIInChI=1S/C13H16N4OS2/c1-9(2)7-12-16-17-13(20-12)15-10(18)8-19-11-5-3-4-6-14-11/h3-6,9H,7-8H2,1-2H3,(H,15,17,18)
InChIKeyXJZQDZYAGFRMCU-UHFFFAOYSA-N
MW308.43 g/mol
LogP2.86
Rot. Bonds6

About N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-pyridin-2-ylsulfanylacetamide

N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-pyridin-2-ylsulfanylacetamide (PubChem CID 889407) has the molecular formula C13H16N4OS2 and a molecular weight of 308.43 g/mol. Its IUPAC name is N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-pyridin-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-pyridin-2-ylsulfanylacetamide
PubChem CID889407
Molecular FormulaC13H16N4OS2
Molecular Weight308.43 g/mol
Exact Mass308.08
IUPAC NameN-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-pyridin-2-ylsulfanylacetamide
SMILESCC(C)Cc1nnc(NC(=O)CSc2ccccn2)s1
InChIInChI=1S/C13H16N4OS2/c1-9(2)7-12-16-17-13(20-12)15-10(18)8-19-11-5-3-4-6-14-11/h3-6,9H,7-8H2,1-2H3,(H,15,17,18)
InChIKeyXJZQDZYAGFRMCU-UHFFFAOYSA-N
XLogP2.86
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-(3-Pyridinyl)-1,3,4-thiadiazol-2-YL]-2-thiophenecarboxamide
CID 1080952
Acetamide, N-(5-(4-pyridyl)-1,3,4-thiadiazol-2-yl)-
CID 19289
2-Amino-5-thio-substituted thiazole 62
CID 5329698
2-Amino-5-thio-substituted thiazole 63
CID 5329699
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylsulfanylpyridine-3-carboxamide
CID 2558670
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylacetamide
CID 7207414
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylacetamide
CID 7207416
N-[5-(allylthio)-1,3,4-thiadiazol-2-yl]-2-(2-pyridinylthio)acetamide
CID 2968297
2-[(4-ethyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
CID 3140151
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-{[4-(prop-2-en-1-yl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
CID 3994085
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

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-pyridin-2-ylsulfanylacetamide?
The IUPAC name of N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-pyridin-2-ylsulfanylacetamide (CID 889407) is N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-pyridin-2-ylsulfanylacetamide.
What is the SMILES notation for N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-pyridin-2-ylsulfanylacetamide?
The canonical SMILES for N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-pyridin-2-ylsulfanylacetamide is CC(C)Cc1nnc(NC(=O)CSc2ccccn2)s1.
What is the InChIKey of N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-pyridin-2-ylsulfanylacetamide?
The InChIKey is XJZQDZYAGFRMCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4OS2/c1-9(2)7-12-16-17-13(20-12)15-10(18)8-19-11-5-3-4-6-14-11/h3-6,9H,7-8H2,1-2H3,(H,15,17,18).
What are the key properties of N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-pyridin-2-ylsulfanylacetamide?
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-pyridin-2-ylsulfanylacetamide has a molecular weight of 308.43 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-pyridin-2-ylsulfanylacetamide is sourced from PubChem (CID 889407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).