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

C14H10FN5S — CID 4681097

IUPAC5-(4-fluorophenyl)-7-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine
SMILESFc1ccc(C2=CC(c3cccs3)n3nnnc3N2)cc1
InChIInChI=1S/C14H10FN5S/c15-10-5-3-9(4-6-10)11-8-12(13-2-1-7-21-13)20-14(16-11)17-18-19-20/h1-8,12H,(H,16,17,19)
InChIKeyJKJPNFHCSHZMSC-UHFFFAOYSA-N
MW299.33 g/mol
LogP2.93
Rot. Bonds2

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

5-(4-fluorophenyl)-7-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine (PubChem CID 4681097) has the molecular formula C14H10FN5S and a molecular weight of 299.33 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-7-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-(4-fluorophenyl)-7-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine
PubChem CID4681097
Molecular FormulaC14H10FN5S
Molecular Weight299.33 g/mol
Exact Mass299.06
IUPAC Name5-(4-fluorophenyl)-7-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine
SMILESFc1ccc(C2=CC(c3cccs3)n3nnnc3N2)cc1
InChIInChI=1S/C14H10FN5S/c15-10-5-3-9(4-6-10)11-8-12(13-2-1-7-21-13)20-14(16-11)17-18-19-20/h1-8,12H,(H,16,17,19)
InChIKeyJKJPNFHCSHZMSC-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

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-7-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-(4-fluorophenyl)-7-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine (CID 4681097) is 5-(4-fluorophenyl)-7-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-(4-fluorophenyl)-7-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-(4-fluorophenyl)-7-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine is Fc1ccc(C2=CC(c3cccs3)n3nnnc3N2)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-7-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
The InChIKey is JKJPNFHCSHZMSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN5S/c15-10-5-3-9(4-6-10)11-8-12(13-2-1-7-21-13)20-14(16-11)17-18-19-20/h1-8,12H,(H,16,17,19).
What are the key properties of 5-(4-fluorophenyl)-7-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
5-(4-fluorophenyl)-7-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 5-(4-fluorophenyl)-7-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 4681097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).