7-(3-fluorophenyl)-5-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine

C14H10FN5S — CID 4139913

IUPAC7-(3-fluorophenyl)-5-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine
SMILESFc1cccc(C2C=C(c3cccs3)Nc3nnnn32)c1
InChIInChI=1S/C14H10FN5S/c15-10-4-1-3-9(7-10)12-8-11(13-5-2-6-21-13)16-14-17-18-19-20(12)14/h1-8,12H,(H,16,17,19)
InChIKeyVXYSWSSACKGXKB-UHFFFAOYSA-N
MW299.33 g/mol
LogP2.93
Rot. Bonds2

About 7-(3-fluorophenyl)-5-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine

7-(3-fluorophenyl)-5-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine (PubChem CID 4139913) has the molecular formula C14H10FN5S and a molecular weight of 299.33 g/mol. Its IUPAC name is 7-(3-fluorophenyl)-5-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(3-fluorophenyl)-5-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine
PubChem CID4139913
Molecular FormulaC14H10FN5S
Molecular Weight299.33 g/mol
Exact Mass299.06
IUPAC Name7-(3-fluorophenyl)-5-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine
SMILESFc1cccc(C2C=C(c3cccs3)Nc3nnnn32)c1
InChIInChI=1S/C14H10FN5S/c15-10-4-1-3-9(7-10)12-8-11(13-5-2-6-21-13)16-14-17-18-19-20(12)14/h1-8,12H,(H,16,17,19)
InChIKeyVXYSWSSACKGXKB-UHFFFAOYSA-N
XLogP2.93
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 7-(3-fluorophenyl)-5-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine 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 7-(3-fluorophenyl)-5-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(3-fluorophenyl)-5-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine (CID 4139913) is 7-(3-fluorophenyl)-5-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(3-fluorophenyl)-5-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(3-fluorophenyl)-5-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine is Fc1cccc(C2C=C(c3cccs3)Nc3nnnn32)c1.
What is the InChIKey of 7-(3-fluorophenyl)-5-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
The InChIKey is VXYSWSSACKGXKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN5S/c15-10-4-1-3-9(7-10)12-8-11(13-5-2-6-21-13)16-14-17-18-19-20(12)14/h1-8,12H,(H,16,17,19).
What are the key properties of 7-(3-fluorophenyl)-5-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
7-(3-fluorophenyl)-5-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine has a molecular weight of 299.33 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-fluorophenyl)-5-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 4139913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).