[2-(1,3-thiazol-2-ylsulfanyl)quinolin-3-yl]methanamine

C13H11N3S2 — CID 55238883

IUPAC[2-(1,3-thiazol-2-ylsulfanyl)quinolin-3-yl]methanamine
SMILESNCc1cc2ccccc2nc1Sc1nccs1
InChIInChI=1S/C13H11N3S2/c14-8-10-7-9-3-1-2-4-11(9)16-12(10)18-13-15-5-6-17-13/h1-7H,8,14H2
InChIKeyBVWMUPDOIBTADE-UHFFFAOYSA-N
MW273.39 g/mol
LogP3.30
Rot. Bonds3

About [2-(1,3-thiazol-2-ylsulfanyl)quinolin-3-yl]methanamine

[2-(1,3-thiazol-2-ylsulfanyl)quinolin-3-yl]methanamine (PubChem CID 55238883) has the molecular formula C13H11N3S2 and a molecular weight of 273.39 g/mol. Its IUPAC name is [2-(1,3-thiazol-2-ylsulfanyl)quinolin-3-yl]methanamine.

Molecular Properties

Compound Name[2-(1,3-thiazol-2-ylsulfanyl)quinolin-3-yl]methanamine
PubChem CID55238883
Molecular FormulaC13H11N3S2
Molecular Weight273.39 g/mol
Exact Mass273.04
IUPAC Name[2-(1,3-thiazol-2-ylsulfanyl)quinolin-3-yl]methanamine
SMILESNCc1cc2ccccc2nc1Sc1nccs1
InChIInChI=1S/C13H11N3S2/c14-8-10-7-9-3-1-2-4-11(9)16-12(10)18-13-15-5-6-17-13/h1-7H,8,14H2
InChIKeyBVWMUPDOIBTADE-UHFFFAOYSA-N
XLogP3.30
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.39
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiazol_SC_A(3)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-(1,3-thiazol-2-ylsulfanyl)quinolin-3-yl]methanamine?
The IUPAC name of [2-(1,3-thiazol-2-ylsulfanyl)quinolin-3-yl]methanamine (CID 55238883) is [2-(1,3-thiazol-2-ylsulfanyl)quinolin-3-yl]methanamine.
What is the SMILES notation for [2-(1,3-thiazol-2-ylsulfanyl)quinolin-3-yl]methanamine?
The canonical SMILES for [2-(1,3-thiazol-2-ylsulfanyl)quinolin-3-yl]methanamine is NCc1cc2ccccc2nc1Sc1nccs1.
What is the InChIKey of [2-(1,3-thiazol-2-ylsulfanyl)quinolin-3-yl]methanamine?
The InChIKey is BVWMUPDOIBTADE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3S2/c14-8-10-7-9-3-1-2-4-11(9)16-12(10)18-13-15-5-6-17-13/h1-7H,8,14H2.
What are the key properties of [2-(1,3-thiazol-2-ylsulfanyl)quinolin-3-yl]methanamine?
[2-(1,3-thiazol-2-ylsulfanyl)quinolin-3-yl]methanamine has a molecular weight of 273.39 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,3-thiazol-2-ylsulfanyl)quinolin-3-yl]methanamine is sourced from PubChem (CID 55238883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).