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

C12H14N4O3S — CID 11748407

IUPACN-(2,4-diacetyl-3-thiophen-2-yl-3H-1,2,4-triazol-5-yl)acetamide
SMILESCC(=O)NC1=NN(C(C)=O)C(c2cccs2)N1C(C)=O
InChIInChI=1S/C12H14N4O3S/c1-7(17)13-12-14-16(9(3)19)11(15(12)8(2)18)10-5-4-6-20-10/h4-6,11H,1-3H3,(H,13,14,17)
InChIKeyGJBNTCYKHKQOBA-UHFFFAOYSA-N
MW294.34 g/mol
LogP0.86
Rot. Bonds1

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

N-(2,4-diacetyl-3-thiophen-2-yl-3H-1,2,4-triazol-5-yl)acetamide (PubChem CID 11748407) has the molecular formula C12H14N4O3S and a molecular weight of 294.34 g/mol. Its IUPAC name is N-(2,4-diacetyl-3-thiophen-2-yl-3H-1,2,4-triazol-5-yl)acetamide.

Molecular Properties

Compound NameN-(2,4-diacetyl-3-thiophen-2-yl-3H-1,2,4-triazol-5-yl)acetamide
PubChem CID11748407
Molecular FormulaC12H14N4O3S
Molecular Weight294.34 g/mol
Exact Mass294.08
IUPAC NameN-(2,4-diacetyl-3-thiophen-2-yl-3H-1,2,4-triazol-5-yl)acetamide
SMILESCC(=O)NC1=NN(C(C)=O)C(c2cccs2)N1C(C)=O
InChIInChI=1S/C12H14N4O3S/c1-7(17)13-12-14-16(9(3)19)11(15(12)8(2)18)10-5-4-6-20-10/h4-6,11H,1-3H3,(H,13,14,17)
InChIKeyGJBNTCYKHKQOBA-UHFFFAOYSA-N
XLogP0.86
TPSA82.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.34
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-diacetyl-3-thiophen-2-yl-3H-1,2,4-triazol-5-yl)acetamide?
The IUPAC name of N-(2,4-diacetyl-3-thiophen-2-yl-3H-1,2,4-triazol-5-yl)acetamide (CID 11748407) is N-(2,4-diacetyl-3-thiophen-2-yl-3H-1,2,4-triazol-5-yl)acetamide.
What is the SMILES notation for N-(2,4-diacetyl-3-thiophen-2-yl-3H-1,2,4-triazol-5-yl)acetamide?
The canonical SMILES for N-(2,4-diacetyl-3-thiophen-2-yl-3H-1,2,4-triazol-5-yl)acetamide is CC(=O)NC1=NN(C(C)=O)C(c2cccs2)N1C(C)=O.
What is the InChIKey of N-(2,4-diacetyl-3-thiophen-2-yl-3H-1,2,4-triazol-5-yl)acetamide?
The InChIKey is GJBNTCYKHKQOBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3S/c1-7(17)13-12-14-16(9(3)19)11(15(12)8(2)18)10-5-4-6-20-10/h4-6,11H,1-3H3,(H,13,14,17).
What are the key properties of N-(2,4-diacetyl-3-thiophen-2-yl-3H-1,2,4-triazol-5-yl)acetamide?
N-(2,4-diacetyl-3-thiophen-2-yl-3H-1,2,4-triazol-5-yl)acetamide has a molecular weight of 294.34 g/mol, XLogP of 0.86, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-diacetyl-3-thiophen-2-yl-3H-1,2,4-triazol-5-yl)acetamide is sourced from PubChem (CID 11748407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).