5-[(1-tert-butyltetrazol-5-yl)sulfanylmethyl]-2-(2,2,2-trifluoroethoxy)pyridine

C13H16F3N5OS — CID 71850201

IUPAC5-[(1-tert-butyltetrazol-5-yl)sulfanylmethyl]-2-(2,2,2-trifluoroethoxy)pyridine
SMILESCC(C)(C)n1nnnc1SCc1ccc(OCC(F)(F)F)nc1
InChIInChI=1S/C13H16F3N5OS/c1-12(2,3)21-11(18-19-20-21)23-7-9-4-5-10(17-6-9)22-8-13(14,15)16/h4-6H,7-8H2,1-3H3
InChIKeyNSCPDOAOMZZHBG-UHFFFAOYSA-N
MW347.37 g/mol
LogP3.06
Rot. Bonds5

About 5-[(1-tert-butyltetrazol-5-yl)sulfanylmethyl]-2-(2,2,2-trifluoroethoxy)pyridine

5-[(1-tert-butyltetrazol-5-yl)sulfanylmethyl]-2-(2,2,2-trifluoroethoxy)pyridine (PubChem CID 71850201) has the molecular formula C13H16F3N5OS and a molecular weight of 347.37 g/mol. Its IUPAC name is 5-[(1-tert-butyltetrazol-5-yl)sulfanylmethyl]-2-(2,2,2-trifluoroethoxy)pyridine.

Molecular Properties

Compound Name5-[(1-tert-butyltetrazol-5-yl)sulfanylmethyl]-2-(2,2,2-trifluoroethoxy)pyridine
PubChem CID71850201
Molecular FormulaC13H16F3N5OS
Molecular Weight347.37 g/mol
Exact Mass347.10
IUPAC Name5-[(1-tert-butyltetrazol-5-yl)sulfanylmethyl]-2-(2,2,2-trifluoroethoxy)pyridine
SMILESCC(C)(C)n1nnnc1SCc1ccc(OCC(F)(F)F)nc1
InChIInChI=1S/C13H16F3N5OS/c1-12(2,3)21-11(18-19-20-21)23-7-9-4-5-10(17-6-9)22-8-13(14,15)16/h4-6H,7-8H2,1-3H3
InChIKeyNSCPDOAOMZZHBG-UHFFFAOYSA-N
XLogP3.06
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-[(1-tert-butyltetrazol-5-yl)sulfanylmethyl]-2-(2,2,2-trifluoroethoxy)pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[(1-tert-butyltetrazol-5-yl)sulfanylmethyl]-2-(2,2,2-trifluoroethoxy)pyridine?
The IUPAC name of 5-[(1-tert-butyltetrazol-5-yl)sulfanylmethyl]-2-(2,2,2-trifluoroethoxy)pyridine (CID 71850201) is 5-[(1-tert-butyltetrazol-5-yl)sulfanylmethyl]-2-(2,2,2-trifluoroethoxy)pyridine.
What is the SMILES notation for 5-[(1-tert-butyltetrazol-5-yl)sulfanylmethyl]-2-(2,2,2-trifluoroethoxy)pyridine?
The canonical SMILES for 5-[(1-tert-butyltetrazol-5-yl)sulfanylmethyl]-2-(2,2,2-trifluoroethoxy)pyridine is CC(C)(C)n1nnnc1SCc1ccc(OCC(F)(F)F)nc1.
What is the InChIKey of 5-[(1-tert-butyltetrazol-5-yl)sulfanylmethyl]-2-(2,2,2-trifluoroethoxy)pyridine?
The InChIKey is NSCPDOAOMZZHBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N5OS/c1-12(2,3)21-11(18-19-20-21)23-7-9-4-5-10(17-6-9)22-8-13(14,15)16/h4-6H,7-8H2,1-3H3.
What are the key properties of 5-[(1-tert-butyltetrazol-5-yl)sulfanylmethyl]-2-(2,2,2-trifluoroethoxy)pyridine?
5-[(1-tert-butyltetrazol-5-yl)sulfanylmethyl]-2-(2,2,2-trifluoroethoxy)pyridine has a molecular weight of 347.37 g/mol, XLogP of 3.06, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-tert-butyltetrazol-5-yl)sulfanylmethyl]-2-(2,2,2-trifluoroethoxy)pyridine is sourced from PubChem (CID 71850201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).