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

C9H10FN5OS — CID 63600003

IUPAC5-fluoro-4-methoxy-2-(1-methyltetrazol-5-yl)sulfanylaniline
SMILESCOc1cc(Sc2nnnn2C)c(N)cc1F
InChIInChI=1S/C9H10FN5OS/c1-15-9(12-13-14-15)17-8-4-7(16-2)5(10)3-6(8)11/h3-4H,11H2,1-2H3
InChIKeyLKGMIZFQKJCHCQ-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.09
Rot. Bonds3

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

5-fluoro-4-methoxy-2-(1-methyltetrazol-5-yl)sulfanylaniline (PubChem CID 63600003) has the molecular formula C9H10FN5OS and a molecular weight of 255.28 g/mol. Its IUPAC name is 5-fluoro-4-methoxy-2-(1-methyltetrazol-5-yl)sulfanylaniline.

Molecular Properties

Compound Name5-fluoro-4-methoxy-2-(1-methyltetrazol-5-yl)sulfanylaniline
PubChem CID63600003
Molecular FormulaC9H10FN5OS
Molecular Weight255.28 g/mol
Exact Mass255.06
IUPAC Name5-fluoro-4-methoxy-2-(1-methyltetrazol-5-yl)sulfanylaniline
SMILESCOc1cc(Sc2nnnn2C)c(N)cc1F
InChIInChI=1S/C9H10FN5OS/c1-15-9(12-13-14-15)17-8-4-7(16-2)5(10)3-6(8)11/h3-4H,11H2,1-2H3
InChIKeyLKGMIZFQKJCHCQ-UHFFFAOYSA-N
XLogP1.09
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.09
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 5-fluoro-4-methoxy-2-(1-methyltetrazol-5-yl)sulfanylaniline?
The IUPAC name of 5-fluoro-4-methoxy-2-(1-methyltetrazol-5-yl)sulfanylaniline (CID 63600003) is 5-fluoro-4-methoxy-2-(1-methyltetrazol-5-yl)sulfanylaniline.
What is the SMILES notation for 5-fluoro-4-methoxy-2-(1-methyltetrazol-5-yl)sulfanylaniline?
The canonical SMILES for 5-fluoro-4-methoxy-2-(1-methyltetrazol-5-yl)sulfanylaniline is COc1cc(Sc2nnnn2C)c(N)cc1F.
What is the InChIKey of 5-fluoro-4-methoxy-2-(1-methyltetrazol-5-yl)sulfanylaniline?
The InChIKey is LKGMIZFQKJCHCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FN5OS/c1-15-9(12-13-14-15)17-8-4-7(16-2)5(10)3-6(8)11/h3-4H,11H2,1-2H3.
What are the key properties of 5-fluoro-4-methoxy-2-(1-methyltetrazol-5-yl)sulfanylaniline?
5-fluoro-4-methoxy-2-(1-methyltetrazol-5-yl)sulfanylaniline has a molecular weight of 255.28 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-methoxy-2-(1-methyltetrazol-5-yl)sulfanylaniline is sourced from PubChem (CID 63600003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).