2-(1,4-dithian-2-yl)-N-[2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]acetamide

C10H16N4O2S2 — CID 154857440

IUPAC2-(1,4-dithian-2-yl)-N-[2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]acetamide
SMILESO=C(CC1CSCCS1)NCCc1n[nH]c(=O)[nH]1
InChIInChI=1S/C10H16N4O2S2/c15-9(5-7-6-17-3-4-18-7)11-2-1-8-12-10(16)14-13-8/h7H,1-6H2,(H,11,15)(H2,12,13,14,16)
InChIKeyMXGZOCGXDINPKL-UHFFFAOYSA-N
MW288.40 g/mol
LogP-0.00
Rot. Bonds5

About 2-(1,4-dithian-2-yl)-N-[2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]acetamide

2-(1,4-dithian-2-yl)-N-[2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]acetamide (PubChem CID 154857440) has the molecular formula C10H16N4O2S2 and a molecular weight of 288.40 g/mol. Its IUPAC name is 2-(1,4-dithian-2-yl)-N-[2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(1,4-dithian-2-yl)-N-[2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]acetamide
PubChem CID154857440
Molecular FormulaC10H16N4O2S2
Molecular Weight288.40 g/mol
Exact Mass288.07
IUPAC Name2-(1,4-dithian-2-yl)-N-[2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]acetamide
SMILESO=C(CC1CSCCS1)NCCc1n[nH]c(=O)[nH]1
InChIInChI=1S/C10H16N4O2S2/c15-9(5-7-6-17-3-4-18-7)11-2-1-8-12-10(16)14-13-8/h7H,1-6H2,(H,11,15)(H2,12,13,14,16)
InChIKeyMXGZOCGXDINPKL-UHFFFAOYSA-N
XLogP-0.00
TPSA90.64 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 5-0.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-(1,4-dithian-2-yl)-N-[2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]acetamide 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-(1,4-dithian-2-yl)-N-[2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]acetamide?
The IUPAC name of 2-(1,4-dithian-2-yl)-N-[2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]acetamide (CID 154857440) is 2-(1,4-dithian-2-yl)-N-[2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]acetamide.
What is the SMILES notation for 2-(1,4-dithian-2-yl)-N-[2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]acetamide?
The canonical SMILES for 2-(1,4-dithian-2-yl)-N-[2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]acetamide is O=C(CC1CSCCS1)NCCc1n[nH]c(=O)[nH]1.
What is the InChIKey of 2-(1,4-dithian-2-yl)-N-[2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]acetamide?
The InChIKey is MXGZOCGXDINPKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2S2/c15-9(5-7-6-17-3-4-18-7)11-2-1-8-12-10(16)14-13-8/h7H,1-6H2,(H,11,15)(H2,12,13,14,16).
What are the key properties of 2-(1,4-dithian-2-yl)-N-[2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]acetamide?
2-(1,4-dithian-2-yl)-N-[2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]acetamide has a molecular weight of 288.40 g/mol, XLogP of -0.00, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-dithian-2-yl)-N-[2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]acetamide is sourced from PubChem (CID 154857440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).