2-[1-(2-fluorophenyl)tetrazol-5-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide

C12H9FN6OS2 — CID 2991655

IUPAC2-[1-(2-fluorophenyl)tetrazol-5-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(CSc1nnnn1-c1ccccc1F)Nc1nccs1
InChIInChI=1S/C12H9FN6OS2/c13-8-3-1-2-4-9(8)19-12(16-17-18-19)22-7-10(20)15-11-14-5-6-21-11/h1-6H,7H2,(H,14,15,20)
InChIKeyXZISDLHUEZVSHK-UHFFFAOYSA-N
MW336.38 g/mol
LogP1.99
Rot. Bonds5

About 2-[1-(2-fluorophenyl)tetrazol-5-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide

2-[1-(2-fluorophenyl)tetrazol-5-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 2991655) has the molecular formula C12H9FN6OS2 and a molecular weight of 336.38 g/mol. Its IUPAC name is 2-[1-(2-fluorophenyl)tetrazol-5-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[1-(2-fluorophenyl)tetrazol-5-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide
PubChem CID2991655
Molecular FormulaC12H9FN6OS2
Molecular Weight336.38 g/mol
Exact Mass336.03
IUPAC Name2-[1-(2-fluorophenyl)tetrazol-5-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(CSc1nnnn1-c1ccccc1F)Nc1nccs1
InChIInChI=1S/C12H9FN6OS2/c13-8-3-1-2-4-9(8)19-12(16-17-18-19)22-7-10(20)15-11-14-5-6-21-11/h1-6H,7H2,(H,14,15,20)
InChIKeyXZISDLHUEZVSHK-UHFFFAOYSA-N
XLogP1.99
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.38
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-fluorophenyl)tetrazol-5-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[1-(2-fluorophenyl)tetrazol-5-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide (CID 2991655) is 2-[1-(2-fluorophenyl)tetrazol-5-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[1-(2-fluorophenyl)tetrazol-5-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[1-(2-fluorophenyl)tetrazol-5-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide is O=C(CSc1nnnn1-c1ccccc1F)Nc1nccs1.
What is the InChIKey of 2-[1-(2-fluorophenyl)tetrazol-5-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is XZISDLHUEZVSHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN6OS2/c13-8-3-1-2-4-9(8)19-12(16-17-18-19)22-7-10(20)15-11-14-5-6-21-11/h1-6H,7H2,(H,14,15,20).
What are the key properties of 2-[1-(2-fluorophenyl)tetrazol-5-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide?
2-[1-(2-fluorophenyl)tetrazol-5-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 336.38 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-fluorophenyl)tetrazol-5-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 2991655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).