2-[[5,6-bis(furan-2-yl)-1,2,4-triazin-3-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide

C16H11N5O3S2 — CID 6418149

IUPAC2-[[5,6-bis(furan-2-yl)-1,2,4-triazin-3-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(CSc1nnc(-c2ccco2)c(-c2ccco2)n1)Nc1nccs1
InChIInChI=1S/C16H11N5O3S2/c22-12(18-15-17-5-8-25-15)9-26-16-19-13(10-3-1-6-23-10)14(20-21-16)11-4-2-7-24-11/h1-8H,9H2,(H,17,18,22)
InChIKeyYUSALVLEEUNYJH-UHFFFAOYSA-N
MW385.43 g/mol
LogP3.58
Rot. Bonds6

About 2-[[5,6-bis(furan-2-yl)-1,2,4-triazin-3-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide

2-[[5,6-bis(furan-2-yl)-1,2,4-triazin-3-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 6418149) has the molecular formula C16H11N5O3S2 and a molecular weight of 385.43 g/mol. Its IUPAC name is 2-[[5,6-bis(furan-2-yl)-1,2,4-triazin-3-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[[5,6-bis(furan-2-yl)-1,2,4-triazin-3-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
PubChem CID6418149
Molecular FormulaC16H11N5O3S2
Molecular Weight385.43 g/mol
Exact Mass385.03
IUPAC Name2-[[5,6-bis(furan-2-yl)-1,2,4-triazin-3-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(CSc1nnc(-c2ccco2)c(-c2ccco2)n1)Nc1nccs1
InChIInChI=1S/C16H11N5O3S2/c22-12(18-15-17-5-8-25-15)9-26-16-19-13(10-3-1-6-23-10)14(20-21-16)11-4-2-7-24-11/h1-8H,9H2,(H,17,18,22)
InChIKeyYUSALVLEEUNYJH-UHFFFAOYSA-N
XLogP3.58
TPSA106.94 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.43
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_thio_6_furan(4)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[5,6-bis(furan-2-yl)-1,2,4-triazin-3-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[[5,6-bis(furan-2-yl)-1,2,4-triazin-3-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide (CID 6418149) is 2-[[5,6-bis(furan-2-yl)-1,2,4-triazin-3-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[[5,6-bis(furan-2-yl)-1,2,4-triazin-3-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[[5,6-bis(furan-2-yl)-1,2,4-triazin-3-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide is O=C(CSc1nnc(-c2ccco2)c(-c2ccco2)n1)Nc1nccs1.
What is the InChIKey of 2-[[5,6-bis(furan-2-yl)-1,2,4-triazin-3-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is YUSALVLEEUNYJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N5O3S2/c22-12(18-15-17-5-8-25-15)9-26-16-19-13(10-3-1-6-23-10)14(20-21-16)11-4-2-7-24-11/h1-8H,9H2,(H,17,18,22).
What are the key properties of 2-[[5,6-bis(furan-2-yl)-1,2,4-triazin-3-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
2-[[5,6-bis(furan-2-yl)-1,2,4-triazin-3-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 385.43 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5,6-bis(furan-2-yl)-1,2,4-triazin-3-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 6418149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).