4-[5-(furan-2-yl)tetrazol-2-yl]-1-thiophen-2-ylbutan-1-one

C13H12N4O2S — CID 62024736

IUPAC4-[5-(furan-2-yl)tetrazol-2-yl]-1-thiophen-2-ylbutan-1-one
SMILESO=C(CCCn1nnc(-c2ccco2)n1)c1cccs1
InChIInChI=1S/C13H12N4O2S/c18-10(12-6-3-9-20-12)4-1-7-17-15-13(14-16-17)11-5-2-8-19-11/h2-3,5-6,8-9H,1,4,7H2
InChIKeyYVEUCCQUKRUEEM-UHFFFAOYSA-N
MW288.33 g/mol
LogP2.66
Rot. Bonds6

About 4-[5-(furan-2-yl)tetrazol-2-yl]-1-thiophen-2-ylbutan-1-one

4-[5-(furan-2-yl)tetrazol-2-yl]-1-thiophen-2-ylbutan-1-one (PubChem CID 62024736) has the molecular formula C13H12N4O2S and a molecular weight of 288.33 g/mol. Its IUPAC name is 4-[5-(furan-2-yl)tetrazol-2-yl]-1-thiophen-2-ylbutan-1-one.

Molecular Properties

Compound Name4-[5-(furan-2-yl)tetrazol-2-yl]-1-thiophen-2-ylbutan-1-one
PubChem CID62024736
Molecular FormulaC13H12N4O2S
Molecular Weight288.33 g/mol
Exact Mass288.07
IUPAC Name4-[5-(furan-2-yl)tetrazol-2-yl]-1-thiophen-2-ylbutan-1-one
SMILESO=C(CCCn1nnc(-c2ccco2)n1)c1cccs1
InChIInChI=1S/C13H12N4O2S/c18-10(12-6-3-9-20-12)4-1-7-17-15-13(14-16-17)11-5-2-8-19-11/h2-3,5-6,8-9H,1,4,7H2
InChIKeyYVEUCCQUKRUEEM-UHFFFAOYSA-N
XLogP2.66
TPSA73.81 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[5-(furan-2-yl)tetrazol-2-yl]-1-thiophen-2-ylbutan-1-one 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
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
2-(Furan-2-yl)-5-[(5-thiophen-2-yltetrazol-2-yl)methyl]-1,3,4-oxadiazole
CID 16380313
N-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide
CID 17421880
2-[5-(furan-2-yl)tetrazol-2-yl]-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]acetamide
CID 25638314
2-[5-(furan-2-yl)tetrazol-2-yl]-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]acetamide
CID 25638315

Frequently Asked Questions

What is the IUPAC name of 4-[5-(furan-2-yl)tetrazol-2-yl]-1-thiophen-2-ylbutan-1-one?
The IUPAC name of 4-[5-(furan-2-yl)tetrazol-2-yl]-1-thiophen-2-ylbutan-1-one (CID 62024736) is 4-[5-(furan-2-yl)tetrazol-2-yl]-1-thiophen-2-ylbutan-1-one.
What is the SMILES notation for 4-[5-(furan-2-yl)tetrazol-2-yl]-1-thiophen-2-ylbutan-1-one?
The canonical SMILES for 4-[5-(furan-2-yl)tetrazol-2-yl]-1-thiophen-2-ylbutan-1-one is O=C(CCCn1nnc(-c2ccco2)n1)c1cccs1.
What is the InChIKey of 4-[5-(furan-2-yl)tetrazol-2-yl]-1-thiophen-2-ylbutan-1-one?
The InChIKey is YVEUCCQUKRUEEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O2S/c18-10(12-6-3-9-20-12)4-1-7-17-15-13(14-16-17)11-5-2-8-19-11/h2-3,5-6,8-9H,1,4,7H2.
What are the key properties of 4-[5-(furan-2-yl)tetrazol-2-yl]-1-thiophen-2-ylbutan-1-one?
4-[5-(furan-2-yl)tetrazol-2-yl]-1-thiophen-2-ylbutan-1-one has a molecular weight of 288.33 g/mol, XLogP of 2.66, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(furan-2-yl)tetrazol-2-yl]-1-thiophen-2-ylbutan-1-one is sourced from PubChem (CID 62024736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).