2-[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]sulfanyl-1,3-thiazole

C11H6F3N5S2 — CID 18708186

IUPAC2-[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]sulfanyl-1,3-thiazole
SMILESFC(F)(F)c1cccc(-n2nnnc2Sc2nccs2)c1
InChIInChI=1S/C11H6F3N5S2/c12-11(13,14)7-2-1-3-8(6-7)19-9(16-17-18-19)21-10-15-4-5-20-10/h1-6H
InChIKeyOOVGLCGFJQFFCE-UHFFFAOYSA-N
MW329.33 g/mol
LogP3.29
Rot. Bonds3

About 2-[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]sulfanyl-1,3-thiazole

2-[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]sulfanyl-1,3-thiazole (PubChem CID 18708186) has the molecular formula C11H6F3N5S2 and a molecular weight of 329.33 g/mol. Its IUPAC name is 2-[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]sulfanyl-1,3-thiazole.

Molecular Properties

Compound Name2-[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]sulfanyl-1,3-thiazole
PubChem CID18708186
Molecular FormulaC11H6F3N5S2
Molecular Weight329.33 g/mol
Exact Mass329.00
IUPAC Name2-[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]sulfanyl-1,3-thiazole
SMILESFC(F)(F)c1cccc(-n2nnnc2Sc2nccs2)c1
InChIInChI=1S/C11H6F3N5S2/c12-11(13,14)7-2-1-3-8(6-7)19-9(16-17-18-19)21-10-15-4-5-20-10/h1-6H
InChIKeyOOVGLCGFJQFFCE-UHFFFAOYSA-N
XLogP3.29
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.33
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiazol_SC_A(3)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]sulfanyl-1,3-thiazole?
The IUPAC name of 2-[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]sulfanyl-1,3-thiazole (CID 18708186) is 2-[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]sulfanyl-1,3-thiazole.
What is the SMILES notation for 2-[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]sulfanyl-1,3-thiazole?
The canonical SMILES for 2-[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]sulfanyl-1,3-thiazole is FC(F)(F)c1cccc(-n2nnnc2Sc2nccs2)c1.
What is the InChIKey of 2-[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]sulfanyl-1,3-thiazole?
The InChIKey is OOVGLCGFJQFFCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F3N5S2/c12-11(13,14)7-2-1-3-8(6-7)19-9(16-17-18-19)21-10-15-4-5-20-10/h1-6H.
What are the key properties of 2-[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]sulfanyl-1,3-thiazole?
2-[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]sulfanyl-1,3-thiazole has a molecular weight of 329.33 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]sulfanyl-1,3-thiazole is sourced from PubChem (CID 18708186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).