2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanyl-1-thiophen-2-ylethanone

C13H9FN4OS2 — CID 7801904

IUPAC2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanyl-1-thiophen-2-ylethanone
SMILESO=C(CSc1nnnn1-c1cccc(F)c1)c1cccs1
InChIInChI=1S/C13H9FN4OS2/c14-9-3-1-4-10(7-9)18-13(15-16-17-18)21-8-11(19)12-5-2-6-20-12/h1-7H,8H2
InChIKeyPYTNQNGSENMHJT-UHFFFAOYSA-N
MW320.37 g/mol
LogP2.84
Rot. Bonds5

About 2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanyl-1-thiophen-2-ylethanone

2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanyl-1-thiophen-2-ylethanone (PubChem CID 7801904) has the molecular formula C13H9FN4OS2 and a molecular weight of 320.37 g/mol. Its IUPAC name is 2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanyl-1-thiophen-2-ylethanone.

Molecular Properties

Compound Name2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanyl-1-thiophen-2-ylethanone
PubChem CID7801904
Molecular FormulaC13H9FN4OS2
Molecular Weight320.37 g/mol
Exact Mass320.02
IUPAC Name2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanyl-1-thiophen-2-ylethanone
SMILESO=C(CSc1nnnn1-c1cccc(F)c1)c1cccs1
InChIInChI=1S/C13H9FN4OS2/c14-9-3-1-4-10(7-9)18-13(15-16-17-18)21-8-11(19)12-5-2-6-20-12/h1-7H,8H2
InChIKeyPYTNQNGSENMHJT-UHFFFAOYSA-N
XLogP2.84
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanyl-1-thiophen-2-ylethanone?
The IUPAC name of 2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanyl-1-thiophen-2-ylethanone (CID 7801904) is 2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanyl-1-thiophen-2-ylethanone.
What is the SMILES notation for 2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanyl-1-thiophen-2-ylethanone?
The canonical SMILES for 2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanyl-1-thiophen-2-ylethanone is O=C(CSc1nnnn1-c1cccc(F)c1)c1cccs1.
What is the InChIKey of 2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanyl-1-thiophen-2-ylethanone?
The InChIKey is PYTNQNGSENMHJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN4OS2/c14-9-3-1-4-10(7-9)18-13(15-16-17-18)21-8-11(19)12-5-2-6-20-12/h1-7H,8H2.
What are the key properties of 2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanyl-1-thiophen-2-ylethanone?
2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanyl-1-thiophen-2-ylethanone has a molecular weight of 320.37 g/mol, XLogP of 2.84, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanyl-1-thiophen-2-ylethanone is sourced from PubChem (CID 7801904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).