N-ethyl-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)acetamide

C10H12N4OS2 — CID 43401144

IUPACN-ethyl-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)acetamide
SMILESCCNC(=O)Cn1c(-c2cccs2)n[nH]c1=S
InChIInChI=1S/C10H12N4OS2/c1-2-11-8(15)6-14-9(12-13-10(14)16)7-4-3-5-17-7/h3-5H,2,6H2,1H3,(H,11,15)(H,13,16)
InChIKeyAOPOMAQWPPPFIP-UHFFFAOYSA-N
MW268.37 g/mol
LogP1.81
Rot. Bonds4

About N-ethyl-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)acetamide

N-ethyl-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)acetamide (PubChem CID 43401144) has the molecular formula C10H12N4OS2 and a molecular weight of 268.37 g/mol. Its IUPAC name is N-ethyl-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)acetamide.

Molecular Properties

Compound NameN-ethyl-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)acetamide
PubChem CID43401144
Molecular FormulaC10H12N4OS2
Molecular Weight268.37 g/mol
Exact Mass268.05
IUPAC NameN-ethyl-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)acetamide
SMILESCCNC(=O)Cn1c(-c2cccs2)n[nH]c1=S
InChIInChI=1S/C10H12N4OS2/c1-2-11-8(15)6-14-9(12-13-10(14)16)7-4-3-5-17-7/h3-5H,2,6H2,1H3,(H,11,15)(H,13,16)
InChIKeyAOPOMAQWPPPFIP-UHFFFAOYSA-N
XLogP1.81
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.37
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)acetamide?
The IUPAC name of N-ethyl-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)acetamide (CID 43401144) is N-ethyl-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)acetamide.
What is the SMILES notation for N-ethyl-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)acetamide?
The canonical SMILES for N-ethyl-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)acetamide is CCNC(=O)Cn1c(-c2cccs2)n[nH]c1=S.
What is the InChIKey of N-ethyl-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)acetamide?
The InChIKey is AOPOMAQWPPPFIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4OS2/c1-2-11-8(15)6-14-9(12-13-10(14)16)7-4-3-5-17-7/h3-5H,2,6H2,1H3,(H,11,15)(H,13,16).
What are the key properties of N-ethyl-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)acetamide?
N-ethyl-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)acetamide has a molecular weight of 268.37 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)acetamide is sourced from PubChem (CID 43401144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).