5-fluoro-2-[(1-propyltetrazol-5-yl)methylsulfanyl]aniline

C11H14FN5S — CID 43304058

IUPAC5-fluoro-2-[(1-propyltetrazol-5-yl)methylsulfanyl]aniline
SMILESCCCn1nnnc1CSc1ccc(F)cc1N
InChIInChI=1S/C11H14FN5S/c1-2-5-17-11(14-15-16-17)7-18-10-4-3-8(12)6-9(10)13/h3-4,6H,2,5,7,13H2,1H3
InChIKeyAWSMZUZQPZMQDT-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.10
Rot. Bonds5

About 5-fluoro-2-[(1-propyltetrazol-5-yl)methylsulfanyl]aniline

5-fluoro-2-[(1-propyltetrazol-5-yl)methylsulfanyl]aniline (PubChem CID 43304058) has the molecular formula C11H14FN5S and a molecular weight of 267.33 g/mol. Its IUPAC name is 5-fluoro-2-[(1-propyltetrazol-5-yl)methylsulfanyl]aniline.

Molecular Properties

Compound Name5-fluoro-2-[(1-propyltetrazol-5-yl)methylsulfanyl]aniline
PubChem CID43304058
Molecular FormulaC11H14FN5S
Molecular Weight267.33 g/mol
Exact Mass267.10
IUPAC Name5-fluoro-2-[(1-propyltetrazol-5-yl)methylsulfanyl]aniline
SMILESCCCn1nnnc1CSc1ccc(F)cc1N
InChIInChI=1S/C11H14FN5S/c1-2-5-17-11(14-15-16-17)7-18-10-4-3-8(12)6-9(10)13/h3-4,6H,2,5,7,13H2,1H3
InChIKeyAWSMZUZQPZMQDT-UHFFFAOYSA-N
XLogP2.10
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-2-[(1-propyltetrazol-5-yl)methylsulfanyl]aniline?
The IUPAC name of 5-fluoro-2-[(1-propyltetrazol-5-yl)methylsulfanyl]aniline (CID 43304058) is 5-fluoro-2-[(1-propyltetrazol-5-yl)methylsulfanyl]aniline.
What is the SMILES notation for 5-fluoro-2-[(1-propyltetrazol-5-yl)methylsulfanyl]aniline?
The canonical SMILES for 5-fluoro-2-[(1-propyltetrazol-5-yl)methylsulfanyl]aniline is CCCn1nnnc1CSc1ccc(F)cc1N.
What is the InChIKey of 5-fluoro-2-[(1-propyltetrazol-5-yl)methylsulfanyl]aniline?
The InChIKey is AWSMZUZQPZMQDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN5S/c1-2-5-17-11(14-15-16-17)7-18-10-4-3-8(12)6-9(10)13/h3-4,6H,2,5,7,13H2,1H3.
What are the key properties of 5-fluoro-2-[(1-propyltetrazol-5-yl)methylsulfanyl]aniline?
5-fluoro-2-[(1-propyltetrazol-5-yl)methylsulfanyl]aniline has a molecular weight of 267.33 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[(1-propyltetrazol-5-yl)methylsulfanyl]aniline is sourced from PubChem (CID 43304058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).