2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)-N-(3-tricyclo[3.2.1.02,4]octanyl)propanamide

C17H20N4OS2 — CID 102559730

IUPAC2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)-N-(3-tricyclo[3.2.1.02,4]octanyl)propanamide
SMILESCC(C(=O)NC1C2C3CCC(C3)C12)n1c(-c2cccs2)n[nH]c1=S
InChIInChI=1S/C17H20N4OS2/c1-8(21-15(19-20-17(21)23)11-3-2-6-24-11)16(22)18-14-12-9-4-5-10(7-9)13(12)14/h2-3,6,8-10,12-14H,4-5,7H2,1H3,(H,18,22)(H,20,23)
InChIKeyZZFVARDIHQMTGT-UHFFFAOYSA-N
MW360.51 g/mol
LogP3.39
Rot. Bonds4

About 2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)-N-(3-tricyclo[3.2.1.02,4]octanyl)propanamide

2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)-N-(3-tricyclo[3.2.1.02,4]octanyl)propanamide (PubChem CID 102559730) has the molecular formula C17H20N4OS2 and a molecular weight of 360.51 g/mol. Its IUPAC name is 2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)-N-(3-tricyclo[3.2.1.02,4]octanyl)propanamide.

Molecular Properties

Compound Name2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)-N-(3-tricyclo[3.2.1.02,4]octanyl)propanamide
PubChem CID102559730
Molecular FormulaC17H20N4OS2
Molecular Weight360.51 g/mol
Exact Mass360.11
IUPAC Name2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)-N-(3-tricyclo[3.2.1.02,4]octanyl)propanamide
SMILESCC(C(=O)NC1C2C3CCC(C3)C12)n1c(-c2cccs2)n[nH]c1=S
InChIInChI=1S/C17H20N4OS2/c1-8(21-15(19-20-17(21)23)11-3-2-6-24-11)16(22)18-14-12-9-4-5-10(7-9)13(12)14/h2-3,6,8-10,12-14H,4-5,7H2,1H3,(H,18,22)(H,20,23)
InChIKeyZZFVARDIHQMTGT-UHFFFAOYSA-N
XLogP3.39
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.51
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)-N-(3-tricyclo[3.2.1.02,4]octanyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)-N-(3-tricyclo[3.2.1.02,4]octanyl)propanamide?
The IUPAC name of 2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)-N-(3-tricyclo[3.2.1.02,4]octanyl)propanamide (CID 102559730) is 2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)-N-(3-tricyclo[3.2.1.02,4]octanyl)propanamide.
What is the SMILES notation for 2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)-N-(3-tricyclo[3.2.1.02,4]octanyl)propanamide?
The canonical SMILES for 2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)-N-(3-tricyclo[3.2.1.02,4]octanyl)propanamide is CC(C(=O)NC1C2C3CCC(C3)C12)n1c(-c2cccs2)n[nH]c1=S.
What is the InChIKey of 2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)-N-(3-tricyclo[3.2.1.02,4]octanyl)propanamide?
The InChIKey is ZZFVARDIHQMTGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4OS2/c1-8(21-15(19-20-17(21)23)11-3-2-6-24-11)16(22)18-14-12-9-4-5-10(7-9)13(12)14/h2-3,6,8-10,12-14H,4-5,7H2,1H3,(H,18,22)(H,20,23).
What are the key properties of 2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)-N-(3-tricyclo[3.2.1.02,4]octanyl)propanamide?
2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)-N-(3-tricyclo[3.2.1.02,4]octanyl)propanamide has a molecular weight of 360.51 g/mol, XLogP of 3.39, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)-N-(3-tricyclo[3.2.1.02,4]octanyl)propanamide is sourced from PubChem (CID 102559730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).