N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[[2-(furan-2-yl)-7-oxo-6H-pyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl]acetamide

C15H13N7O3S2 — CID 46337817

IUPACN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[[2-(furan-2-yl)-7-oxo-6H-pyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl]acetamide
SMILESCCc1nnc(NC(=O)CSc2nc(-c3ccco3)nc3cc(=O)[nH]n23)s1
InChIInChI=1S/C15H13N7O3S2/c1-2-12-19-20-14(27-12)17-11(24)7-26-15-18-13(8-4-3-5-25-8)16-9-6-10(23)21-22(9)15/h3-6H,2,7H2,1H3,(H,21,23)(H,17,20,24)
InChIKeyCPEVIYNGPXQESW-UHFFFAOYSA-N
MW403.45 g/mol
LogP1.82
Rot. Bonds6

About N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[[2-(furan-2-yl)-7-oxo-6H-pyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl]acetamide

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[[2-(furan-2-yl)-7-oxo-6H-pyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl]acetamide (PubChem CID 46337817) has the molecular formula C15H13N7O3S2 and a molecular weight of 403.45 g/mol. Its IUPAC name is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[[2-(furan-2-yl)-7-oxo-6H-pyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[[2-(furan-2-yl)-7-oxo-6H-pyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl]acetamide
PubChem CID46337817
Molecular FormulaC15H13N7O3S2
Molecular Weight403.45 g/mol
Exact Mass403.05
IUPAC NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[[2-(furan-2-yl)-7-oxo-6H-pyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl]acetamide
SMILESCCc1nnc(NC(=O)CSc2nc(-c3ccco3)nc3cc(=O)[nH]n23)s1
InChIInChI=1S/C15H13N7O3S2/c1-2-12-19-20-14(27-12)17-11(24)7-26-15-18-13(8-4-3-5-25-8)16-9-6-10(23)21-22(9)15/h3-6H,2,7H2,1H3,(H,21,23)(H,17,20,24)
InChIKeyCPEVIYNGPXQESW-UHFFFAOYSA-N
XLogP1.82
TPSA131.07 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.45
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_pyridine_A(1)', 'substructure': 'N/A'}

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Related Compounds

2-[[2-(2-chlorophenyl)-7-oxo-6H-pyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
CID 20942272
N-(3-chloro-4-methoxyphenyl)-2-[[2-(furan-2-yl)-7-oxo-6H-pyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl]acetamide
CID 20942609
N-[(4-chlorophenyl)methyl]-2-[[2-(furan-2-yl)-7-oxo-6H-pyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl]acetamide
CID 46337919
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[[5-(furan-2-yl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 3215039
2-(furan-2-yl)-4-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-6H-pyrazolo[1,5-a][1,3,5]triazin-7-one
CID 46337808
2-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
CID 6498039
5-[[2-(furan-2-yl)-7-oxo-6H-pyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanylmethyl]-2-methyl-[1,2]oxazolo[2,3-a]pyrimidin-7-one
CID 46337815
ethyl (3R)-1-[2-[[2-(furan-2-yl)-7-oxo-6H-pyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl]acetyl]piperidine-3-carboxylate
CID 92724243
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-(furan-2-yl)furan-2-carboxamide
CID 71690111
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 136684850
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(2-methylphenyl)sulfanylacetamide
CID 4549395
2-[[4-benzyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(5-pentyl-1,3,4-thiadiazol-2-yl)acetamide
CID 36913896

Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[[2-(furan-2-yl)-7-oxo-6H-pyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl]acetamide?
The IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[[2-(furan-2-yl)-7-oxo-6H-pyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl]acetamide (CID 46337817) is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[[2-(furan-2-yl)-7-oxo-6H-pyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[[2-(furan-2-yl)-7-oxo-6H-pyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl]acetamide?
The canonical SMILES for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[[2-(furan-2-yl)-7-oxo-6H-pyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl]acetamide is CCc1nnc(NC(=O)CSc2nc(-c3ccco3)nc3cc(=O)[nH]n23)s1.
What is the InChIKey of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[[2-(furan-2-yl)-7-oxo-6H-pyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl]acetamide?
The InChIKey is CPEVIYNGPXQESW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N7O3S2/c1-2-12-19-20-14(27-12)17-11(24)7-26-15-18-13(8-4-3-5-25-8)16-9-6-10(23)21-22(9)15/h3-6H,2,7H2,1H3,(H,21,23)(H,17,20,24).
What are the key properties of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[[2-(furan-2-yl)-7-oxo-6H-pyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl]acetamide?
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[[2-(furan-2-yl)-7-oxo-6H-pyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl]acetamide has a molecular weight of 403.45 g/mol, XLogP of 1.82, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[[2-(furan-2-yl)-7-oxo-6H-pyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl]acetamide is sourced from PubChem (CID 46337817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).