5-ethenyl-4-methyl-1,3-thiazol-3-ium-3-amine

C6H9N2S+ — CID 19591757

IUPAC5-ethenyl-4-methyl-1,3-thiazol-3-ium-3-amine
SMILESC=Cc1sc[n+](N)c1C
InChIInChI=1S/C6H9N2S/c1-3-6-5(2)8(7)4-9-6/h3-4H,1,7H2,2H3/q+1
InChIKeyUXFHELLXGWKWMJ-UHFFFAOYSA-N
MW141.22 g/mol
LogP0.70
Rot. Bonds1

About 5-ethenyl-4-methyl-1,3-thiazol-3-ium-3-amine

5-ethenyl-4-methyl-1,3-thiazol-3-ium-3-amine (PubChem CID 19591757) has the molecular formula C6H9N2S+ and a molecular weight of 141.22 g/mol. Its IUPAC name is 5-ethenyl-4-methyl-1,3-thiazol-3-ium-3-amine.

Molecular Properties

Compound Name5-ethenyl-4-methyl-1,3-thiazol-3-ium-3-amine
PubChem CID19591757
Molecular FormulaC6H9N2S+
Molecular Weight141.22 g/mol
Exact Mass141.05
IUPAC Name5-ethenyl-4-methyl-1,3-thiazol-3-ium-3-amine
SMILESC=Cc1sc[n+](N)c1C
InChIInChI=1S/C6H9N2S/c1-3-6-5(2)8(7)4-9-6/h3-4H,1,7H2,2H3/q+1
InChIKeyUXFHELLXGWKWMJ-UHFFFAOYSA-N
XLogP0.70
TPSA29.90 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.22
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-4-methyl-1,3-thiazol-3-ium-3-amine?
The IUPAC name of 5-ethenyl-4-methyl-1,3-thiazol-3-ium-3-amine (CID 19591757) is 5-ethenyl-4-methyl-1,3-thiazol-3-ium-3-amine.
What is the SMILES notation for 5-ethenyl-4-methyl-1,3-thiazol-3-ium-3-amine?
The canonical SMILES for 5-ethenyl-4-methyl-1,3-thiazol-3-ium-3-amine is C=Cc1sc[n+](N)c1C.
What is the InChIKey of 5-ethenyl-4-methyl-1,3-thiazol-3-ium-3-amine?
The InChIKey is UXFHELLXGWKWMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N2S/c1-3-6-5(2)8(7)4-9-6/h3-4H,1,7H2,2H3/q+1.
What are the key properties of 5-ethenyl-4-methyl-1,3-thiazol-3-ium-3-amine?
5-ethenyl-4-methyl-1,3-thiazol-3-ium-3-amine has a molecular weight of 141.22 g/mol, XLogP of 0.70, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-4-methyl-1,3-thiazol-3-ium-3-amine is sourced from PubChem (CID 19591757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).