2-[5-(furan-2-yl)tetrazol-2-yl]-1-thiophen-2-ylethanone

C11H8N4O2S — CID 60774204

IUPAC2-[5-(furan-2-yl)tetrazol-2-yl]-1-thiophen-2-ylethanone
SMILESO=C(Cn1nnc(-c2ccco2)n1)c1cccs1
InChIInChI=1S/C11H8N4O2S/c16-8(10-4-2-6-18-10)7-15-13-11(12-14-15)9-3-1-5-17-9/h1-6H,7H2
InChIKeyUPFWPFGOTKATCQ-UHFFFAOYSA-N
MW260.28 g/mol
LogP1.88
Rot. Bonds4

About 2-[5-(furan-2-yl)tetrazol-2-yl]-1-thiophen-2-ylethanone

2-[5-(furan-2-yl)tetrazol-2-yl]-1-thiophen-2-ylethanone (PubChem CID 60774204) has the molecular formula C11H8N4O2S and a molecular weight of 260.28 g/mol. Its IUPAC name is 2-[5-(furan-2-yl)tetrazol-2-yl]-1-thiophen-2-ylethanone.

Molecular Properties

Compound Name2-[5-(furan-2-yl)tetrazol-2-yl]-1-thiophen-2-ylethanone
PubChem CID60774204
Molecular FormulaC11H8N4O2S
Molecular Weight260.28 g/mol
Exact Mass260.04
IUPAC Name2-[5-(furan-2-yl)tetrazol-2-yl]-1-thiophen-2-ylethanone
SMILESO=C(Cn1nnc(-c2ccco2)n1)c1cccs1
InChIInChI=1S/C11H8N4O2S/c16-8(10-4-2-6-18-10)7-15-13-11(12-14-15)9-3-1-5-17-9/h1-6H,7H2
InChIKeyUPFWPFGOTKATCQ-UHFFFAOYSA-N
XLogP1.88
TPSA73.81 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.28
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[5-(furan-2-yl)tetrazol-2-yl]-1-thiophen-2-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

N-(2-furylmethyl)-2-[5-(2-thienyl)-2H-tetrazol-2-yl]acetamide
CID 862079
2-(2-Ethylsulfonylethyl)-5-(furan-2-yl)tetrazole
CID 121578521
N-(furan-2-ylmethyl)-2-(5-thiophen-2-yltetrazol-2-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 133750027
N-(furan-2-ylmethyl)-3-[5-(thiophen-2-yl)-2H-1,2,3,4-tetrazol-2-yl]propanamide
CID 60160274
1-O-[5-(furan-2-yl)tetrazol-1-yl] 4-O-(5-thiophen-2-yltetrazol-1-yl) butanedioate
CID 57126509
2,5-Bis(furan-2-yl)-1,3,4-thiadiazole
CID 2753180
N-[2-(tert-butylamino)-2-oxoethyl]-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 3178579
Methyl 2-methyl-5-[(5-thiophen-2-yltetrazol-2-yl)methyl]furan-3-carboxylate
CID 8389369
Methyl 5-[(5-thiophen-2-yltetrazol-2-yl)methyl]furan-2-carboxylate
CID 8389373
N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(5-thiophen-2-yltetrazol-2-yl)acetamide
CID 8389410
N-(furan-2-ylmethyl)-2-(5-thiophen-3-yltetrazol-2-yl)acetamide
CID 9127990
N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide
CID 9453152

Frequently Asked Questions

What is the IUPAC name of 2-[5-(furan-2-yl)tetrazol-2-yl]-1-thiophen-2-ylethanone?
The IUPAC name of 2-[5-(furan-2-yl)tetrazol-2-yl]-1-thiophen-2-ylethanone (CID 60774204) is 2-[5-(furan-2-yl)tetrazol-2-yl]-1-thiophen-2-ylethanone.
What is the SMILES notation for 2-[5-(furan-2-yl)tetrazol-2-yl]-1-thiophen-2-ylethanone?
The canonical SMILES for 2-[5-(furan-2-yl)tetrazol-2-yl]-1-thiophen-2-ylethanone is O=C(Cn1nnc(-c2ccco2)n1)c1cccs1.
What is the InChIKey of 2-[5-(furan-2-yl)tetrazol-2-yl]-1-thiophen-2-ylethanone?
The InChIKey is UPFWPFGOTKATCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4O2S/c16-8(10-4-2-6-18-10)7-15-13-11(12-14-15)9-3-1-5-17-9/h1-6H,7H2.
What are the key properties of 2-[5-(furan-2-yl)tetrazol-2-yl]-1-thiophen-2-ylethanone?
2-[5-(furan-2-yl)tetrazol-2-yl]-1-thiophen-2-ylethanone has a molecular weight of 260.28 g/mol, XLogP of 1.88, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(furan-2-yl)tetrazol-2-yl]-1-thiophen-2-ylethanone is sourced from PubChem (CID 60774204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).