5-[2,5-bis(4-fluorophenyl)thiophen-3-yl]-2-methyltetrazole

C18H12F2N4S — CID 68712404

IUPAC5-[2,5-bis(4-fluorophenyl)thiophen-3-yl]-2-methyltetrazole
SMILESCn1nnc(-c2cc(-c3ccc(F)cc3)sc2-c2ccc(F)cc2)n1
InChIInChI=1S/C18H12F2N4S/c1-24-22-18(21-23-24)15-10-16(11-2-6-13(19)7-3-11)25-17(15)12-4-8-14(20)9-5-12/h2-10H,1H3
InChIKeySZKMCANQFOZKOX-UHFFFAOYSA-N
MW354.39 g/mol
LogP4.55
Rot. Bonds3

About 5-[2,5-bis(4-fluorophenyl)thiophen-3-yl]-2-methyltetrazole

5-[2,5-bis(4-fluorophenyl)thiophen-3-yl]-2-methyltetrazole (PubChem CID 68712404) has the molecular formula C18H12F2N4S and a molecular weight of 354.39 g/mol. Its IUPAC name is 5-[2,5-bis(4-fluorophenyl)thiophen-3-yl]-2-methyltetrazole.

Molecular Properties

Compound Name5-[2,5-bis(4-fluorophenyl)thiophen-3-yl]-2-methyltetrazole
PubChem CID68712404
Molecular FormulaC18H12F2N4S
Molecular Weight354.39 g/mol
Exact Mass354.08
IUPAC Name5-[2,5-bis(4-fluorophenyl)thiophen-3-yl]-2-methyltetrazole
SMILESCn1nnc(-c2cc(-c3ccc(F)cc3)sc2-c2ccc(F)cc2)n1
InChIInChI=1S/C18H12F2N4S/c1-24-22-18(21-23-24)15-10-16(11-2-6-13(19)7-3-11)25-17(15)12-4-8-14(20)9-5-12/h2-10H,1H3
InChIKeySZKMCANQFOZKOX-UHFFFAOYSA-N
XLogP4.55
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.39
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2,5-bis(4-fluorophenyl)thiophen-3-yl]-2-methyltetrazole?
The IUPAC name of 5-[2,5-bis(4-fluorophenyl)thiophen-3-yl]-2-methyltetrazole (CID 68712404) is 5-[2,5-bis(4-fluorophenyl)thiophen-3-yl]-2-methyltetrazole.
What is the SMILES notation for 5-[2,5-bis(4-fluorophenyl)thiophen-3-yl]-2-methyltetrazole?
The canonical SMILES for 5-[2,5-bis(4-fluorophenyl)thiophen-3-yl]-2-methyltetrazole is Cn1nnc(-c2cc(-c3ccc(F)cc3)sc2-c2ccc(F)cc2)n1.
What is the InChIKey of 5-[2,5-bis(4-fluorophenyl)thiophen-3-yl]-2-methyltetrazole?
The InChIKey is SZKMCANQFOZKOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F2N4S/c1-24-22-18(21-23-24)15-10-16(11-2-6-13(19)7-3-11)25-17(15)12-4-8-14(20)9-5-12/h2-10H,1H3.
What are the key properties of 5-[2,5-bis(4-fluorophenyl)thiophen-3-yl]-2-methyltetrazole?
5-[2,5-bis(4-fluorophenyl)thiophen-3-yl]-2-methyltetrazole has a molecular weight of 354.39 g/mol, XLogP of 4.55, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2,5-bis(4-fluorophenyl)thiophen-3-yl]-2-methyltetrazole is sourced from PubChem (CID 68712404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).