2-(2-methyl-1,2,4-triazol-3-yl)-1-thieno[3,2-b]thiophen-5-ylethanone

C11H9N3OS2 — CID 114979871

IUPAC2-(2-methyl-1,2,4-triazol-3-yl)-1-thieno[3,2-b]thiophen-5-ylethanone
SMILESCn1ncnc1CC(=O)c1cc2sccc2s1
InChIInChI=1S/C11H9N3OS2/c1-14-11(12-6-13-14)4-7(15)9-5-10-8(17-9)2-3-16-10/h2-3,5-6H,4H2,1H3
InChIKeyQDJDCBYGZPDRFH-UHFFFAOYSA-N
MW263.35 g/mol
LogP2.52
Rot. Bonds3

About 2-(2-methyl-1,2,4-triazol-3-yl)-1-thieno[3,2-b]thiophen-5-ylethanone

2-(2-methyl-1,2,4-triazol-3-yl)-1-thieno[3,2-b]thiophen-5-ylethanone (PubChem CID 114979871) has the molecular formula C11H9N3OS2 and a molecular weight of 263.35 g/mol. Its IUPAC name is 2-(2-methyl-1,2,4-triazol-3-yl)-1-thieno[3,2-b]thiophen-5-ylethanone.

Molecular Properties

Compound Name2-(2-methyl-1,2,4-triazol-3-yl)-1-thieno[3,2-b]thiophen-5-ylethanone
PubChem CID114979871
Molecular FormulaC11H9N3OS2
Molecular Weight263.35 g/mol
Exact Mass263.02
IUPAC Name2-(2-methyl-1,2,4-triazol-3-yl)-1-thieno[3,2-b]thiophen-5-ylethanone
SMILESCn1ncnc1CC(=O)c1cc2sccc2s1
InChIInChI=1S/C11H9N3OS2/c1-14-11(12-6-13-14)4-7(15)9-5-10-8(17-9)2-3-16-10/h2-3,5-6H,4H2,1H3
InChIKeyQDJDCBYGZPDRFH-UHFFFAOYSA-N
XLogP2.52
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.35
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(2-methyl-1,2,4-triazol-3-yl)-1-thieno[3,2-b]thiophen-5-ylethanone with MolForge

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

Launch Full Analysis

Related Compounds

2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-1-thieno[3,2-b]thiophen-5-ylethanone
CID 114981752
2-(2-methyltetrazol-5-yl)-1-thieno[3,2-b]thiophen-5-ylethanone
CID 107063268
2-bromo-1-thieno[3,2-b]thiophen-5-ylethanone
CID 80738942
2-(2,5-dimethylphenyl)-1-thieno[3,2-b]thiophen-5-ylethanone
CID 80745092
1-(2,5-dibromothiophen-3-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanone
CID 107967649
1-(3-chloro-4-methylthiophen-2-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanone
CID 103407745
2-ethoxy-1-thieno[3,2-b]thiophen-5-ylethanone
CID 115782915
2-(2,5-difluorophenyl)-1-thieno[3,2-b]thiophen-5-ylethanone
CID 114964004
1-(4-amino-3-chlorophenyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanone
CID 116581918
1-(2,5-dimethylpyrazol-3-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanone
CID 105109337
2-(3-methoxyphenyl)-1-thieno[3,2-b]thiophen-5-ylethanone
CID 80745674
1-(4-bromo-2-methoxyphenyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanone
CID 114980090

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1,2,4-triazol-3-yl)-1-thieno[3,2-b]thiophen-5-ylethanone?
The IUPAC name of 2-(2-methyl-1,2,4-triazol-3-yl)-1-thieno[3,2-b]thiophen-5-ylethanone (CID 114979871) is 2-(2-methyl-1,2,4-triazol-3-yl)-1-thieno[3,2-b]thiophen-5-ylethanone.
What is the SMILES notation for 2-(2-methyl-1,2,4-triazol-3-yl)-1-thieno[3,2-b]thiophen-5-ylethanone?
The canonical SMILES for 2-(2-methyl-1,2,4-triazol-3-yl)-1-thieno[3,2-b]thiophen-5-ylethanone is Cn1ncnc1CC(=O)c1cc2sccc2s1.
What is the InChIKey of 2-(2-methyl-1,2,4-triazol-3-yl)-1-thieno[3,2-b]thiophen-5-ylethanone?
The InChIKey is QDJDCBYGZPDRFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3OS2/c1-14-11(12-6-13-14)4-7(15)9-5-10-8(17-9)2-3-16-10/h2-3,5-6H,4H2,1H3.
What are the key properties of 2-(2-methyl-1,2,4-triazol-3-yl)-1-thieno[3,2-b]thiophen-5-ylethanone?
2-(2-methyl-1,2,4-triazol-3-yl)-1-thieno[3,2-b]thiophen-5-ylethanone has a molecular weight of 263.35 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1,2,4-triazol-3-yl)-1-thieno[3,2-b]thiophen-5-ylethanone is sourced from PubChem (CID 114979871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).