ethyl 4,5-dimethyl-2-(tetrazol-1-yl)thiophene-3-carboxylate

C10H12N4O2S — CID 646089

IUPACethyl 4,5-dimethyl-2-(tetrazol-1-yl)thiophene-3-carboxylate
SMILESCCOC(=O)c1c(-n2cnnn2)sc(C)c1C
InChIInChI=1S/C10H12N4O2S/c1-4-16-10(15)8-6(2)7(3)17-9(8)14-5-11-12-13-14/h5H,4H2,1-3H3
InChIKeyHJGNQCLDKFXSBB-UHFFFAOYSA-N
MW252.30 g/mol
LogP1.52
Rot. Bonds3

About ethyl 4,5-dimethyl-2-(tetrazol-1-yl)thiophene-3-carboxylate

ethyl 4,5-dimethyl-2-(tetrazol-1-yl)thiophene-3-carboxylate (PubChem CID 646089) has the molecular formula C10H12N4O2S and a molecular weight of 252.30 g/mol. Its IUPAC name is ethyl 4,5-dimethyl-2-(tetrazol-1-yl)thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 4,5-dimethyl-2-(tetrazol-1-yl)thiophene-3-carboxylate
PubChem CID646089
Molecular FormulaC10H12N4O2S
Molecular Weight252.30 g/mol
Exact Mass252.07
IUPAC Nameethyl 4,5-dimethyl-2-(tetrazol-1-yl)thiophene-3-carboxylate
SMILESCCOC(=O)c1c(-n2cnnn2)sc(C)c1C
InChIInChI=1S/C10H12N4O2S/c1-4-16-10(15)8-6(2)7(3)17-9(8)14-5-11-12-13-14/h5H,4H2,1-3H3
InChIKeyHJGNQCLDKFXSBB-UHFFFAOYSA-N
XLogP1.52
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.30
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl 4,5-dimethyl-2-(tetrazol-1-yl)thiophene-3-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 4,5-dimethyl-2-(tetrazol-1-yl)thiophene-3-carboxylate?
The IUPAC name of ethyl 4,5-dimethyl-2-(tetrazol-1-yl)thiophene-3-carboxylate (CID 646089) is ethyl 4,5-dimethyl-2-(tetrazol-1-yl)thiophene-3-carboxylate.
What is the SMILES notation for ethyl 4,5-dimethyl-2-(tetrazol-1-yl)thiophene-3-carboxylate?
The canonical SMILES for ethyl 4,5-dimethyl-2-(tetrazol-1-yl)thiophene-3-carboxylate is CCOC(=O)c1c(-n2cnnn2)sc(C)c1C.
What is the InChIKey of ethyl 4,5-dimethyl-2-(tetrazol-1-yl)thiophene-3-carboxylate?
The InChIKey is HJGNQCLDKFXSBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2S/c1-4-16-10(15)8-6(2)7(3)17-9(8)14-5-11-12-13-14/h5H,4H2,1-3H3.
What are the key properties of ethyl 4,5-dimethyl-2-(tetrazol-1-yl)thiophene-3-carboxylate?
ethyl 4,5-dimethyl-2-(tetrazol-1-yl)thiophene-3-carboxylate has a molecular weight of 252.30 g/mol, XLogP of 1.52, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4,5-dimethyl-2-(tetrazol-1-yl)thiophene-3-carboxylate is sourced from PubChem (CID 646089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).