3-(4-methylphenyl)-1,3-thiazol-3-ium-2-amine

C10H11N2S+ — CID 90966240

IUPAC3-(4-methylphenyl)-1,3-thiazol-3-ium-2-amine
SMILESCc1ccc(-[n+]2ccsc2N)cc1
InChIInChI=1S/C10H10N2S/c1-8-2-4-9(5-3-8)12-6-7-13-10(12)11/h2-7,11H,1H3/p+1
InChIKeyJHEOZAAACFCFJB-UHFFFAOYSA-O
MW191.28 g/mol
LogP1.92
Rot. Bonds1

About 3-(4-methylphenyl)-1,3-thiazol-3-ium-2-amine

3-(4-methylphenyl)-1,3-thiazol-3-ium-2-amine (PubChem CID 90966240) has the molecular formula C10H11N2S+ and a molecular weight of 191.28 g/mol. Its IUPAC name is 3-(4-methylphenyl)-1,3-thiazol-3-ium-2-amine.

Molecular Properties

Compound Name3-(4-methylphenyl)-1,3-thiazol-3-ium-2-amine
PubChem CID90966240
Molecular FormulaC10H11N2S+
Molecular Weight191.28 g/mol
Exact Mass191.06
IUPAC Name3-(4-methylphenyl)-1,3-thiazol-3-ium-2-amine
SMILESCc1ccc(-[n+]2ccsc2N)cc1
InChIInChI=1S/C10H10N2S/c1-8-2-4-9(5-3-8)12-6-7-13-10(12)11/h2-7,11H,1H3/p+1
InChIKeyJHEOZAAACFCFJB-UHFFFAOYSA-O
XLogP1.92
TPSA29.90 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 51.92
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 3-(4-methylphenyl)-1,3-thiazol-3-ium-2-amine?
The IUPAC name of 3-(4-methylphenyl)-1,3-thiazol-3-ium-2-amine (CID 90966240) is 3-(4-methylphenyl)-1,3-thiazol-3-ium-2-amine.
What is the SMILES notation for 3-(4-methylphenyl)-1,3-thiazol-3-ium-2-amine?
The canonical SMILES for 3-(4-methylphenyl)-1,3-thiazol-3-ium-2-amine is Cc1ccc(-[n+]2ccsc2N)cc1.
What is the InChIKey of 3-(4-methylphenyl)-1,3-thiazol-3-ium-2-amine?
The InChIKey is JHEOZAAACFCFJB-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H10N2S/c1-8-2-4-9(5-3-8)12-6-7-13-10(12)11/h2-7,11H,1H3/p+1.
What are the key properties of 3-(4-methylphenyl)-1,3-thiazol-3-ium-2-amine?
3-(4-methylphenyl)-1,3-thiazol-3-ium-2-amine has a molecular weight of 191.28 g/mol, XLogP of 1.92, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-1,3-thiazol-3-ium-2-amine is sourced from PubChem (CID 90966240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).