[2-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]methanamine

C9H9N3S2 — CID 43528963

IUPAC[2-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]methanamine
SMILESNCc1ccccc1Sc1nncs1
InChIInChI=1S/C9H9N3S2/c10-5-7-3-1-2-4-8(7)14-9-12-11-6-13-9/h1-4,6H,5,10H2
InChIKeySBQOIKUFUMNPIJ-UHFFFAOYSA-N
MW223.33 g/mol
LogP2.15
Rot. Bonds3

About [2-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]methanamine

[2-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]methanamine (PubChem CID 43528963) has the molecular formula C9H9N3S2 and a molecular weight of 223.33 g/mol. Its IUPAC name is [2-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]methanamine.

Molecular Properties

Compound Name[2-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]methanamine
PubChem CID43528963
Molecular FormulaC9H9N3S2
Molecular Weight223.33 g/mol
Exact Mass223.02
IUPAC Name[2-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]methanamine
SMILESNCc1ccccc1Sc1nncs1
InChIInChI=1S/C9H9N3S2/c10-5-7-3-1-2-4-8(7)14-9-12-11-6-13-9/h1-4,6H,5,10H2
InChIKeySBQOIKUFUMNPIJ-UHFFFAOYSA-N
XLogP2.15
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.33
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]methanamine?
The IUPAC name of [2-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]methanamine (CID 43528963) is [2-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]methanamine.
What is the SMILES notation for [2-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]methanamine?
The canonical SMILES for [2-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]methanamine is NCc1ccccc1Sc1nncs1.
What is the InChIKey of [2-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]methanamine?
The InChIKey is SBQOIKUFUMNPIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3S2/c10-5-7-3-1-2-4-8(7)14-9-12-11-6-13-9/h1-4,6H,5,10H2.
What are the key properties of [2-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]methanamine?
[2-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]methanamine has a molecular weight of 223.33 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]methanamine is sourced from PubChem (CID 43528963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).