4-ethoxy-5-fluoro-2-(1-methyltetrazol-5-yl)sulfanylaniline

C10H12FN5OS — CID 63594146

IUPAC4-ethoxy-5-fluoro-2-(1-methyltetrazol-5-yl)sulfanylaniline
SMILESCCOc1cc(Sc2nnnn2C)c(N)cc1F
InChIInChI=1S/C10H12FN5OS/c1-3-17-8-5-9(7(12)4-6(8)11)18-10-13-14-15-16(10)2/h4-5H,3,12H2,1-2H3
InChIKeyARMIDPMRBVTBBZ-UHFFFAOYSA-N
MW269.31 g/mol
LogP1.48
Rot. Bonds4

About 4-ethoxy-5-fluoro-2-(1-methyltetrazol-5-yl)sulfanylaniline

4-ethoxy-5-fluoro-2-(1-methyltetrazol-5-yl)sulfanylaniline (PubChem CID 63594146) has the molecular formula C10H12FN5OS and a molecular weight of 269.31 g/mol. Its IUPAC name is 4-ethoxy-5-fluoro-2-(1-methyltetrazol-5-yl)sulfanylaniline.

Molecular Properties

Compound Name4-ethoxy-5-fluoro-2-(1-methyltetrazol-5-yl)sulfanylaniline
PubChem CID63594146
Molecular FormulaC10H12FN5OS
Molecular Weight269.31 g/mol
Exact Mass269.07
IUPAC Name4-ethoxy-5-fluoro-2-(1-methyltetrazol-5-yl)sulfanylaniline
SMILESCCOc1cc(Sc2nnnn2C)c(N)cc1F
InChIInChI=1S/C10H12FN5OS/c1-3-17-8-5-9(7(12)4-6(8)11)18-10-13-14-15-16(10)2/h4-5H,3,12H2,1-2H3
InChIKeyARMIDPMRBVTBBZ-UHFFFAOYSA-N
XLogP1.48
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-5-fluoro-2-(1-methyltetrazol-5-yl)sulfanylaniline?
The IUPAC name of 4-ethoxy-5-fluoro-2-(1-methyltetrazol-5-yl)sulfanylaniline (CID 63594146) is 4-ethoxy-5-fluoro-2-(1-methyltetrazol-5-yl)sulfanylaniline.
What is the SMILES notation for 4-ethoxy-5-fluoro-2-(1-methyltetrazol-5-yl)sulfanylaniline?
The canonical SMILES for 4-ethoxy-5-fluoro-2-(1-methyltetrazol-5-yl)sulfanylaniline is CCOc1cc(Sc2nnnn2C)c(N)cc1F.
What is the InChIKey of 4-ethoxy-5-fluoro-2-(1-methyltetrazol-5-yl)sulfanylaniline?
The InChIKey is ARMIDPMRBVTBBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN5OS/c1-3-17-8-5-9(7(12)4-6(8)11)18-10-13-14-15-16(10)2/h4-5H,3,12H2,1-2H3.
What are the key properties of 4-ethoxy-5-fluoro-2-(1-methyltetrazol-5-yl)sulfanylaniline?
4-ethoxy-5-fluoro-2-(1-methyltetrazol-5-yl)sulfanylaniline has a molecular weight of 269.31 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-5-fluoro-2-(1-methyltetrazol-5-yl)sulfanylaniline is sourced from PubChem (CID 63594146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).