2-(3-methylimidazol-4-yl)-1,3-benzothiazol-6-amine

C11H10N4S — CID 103512391

IUPAC2-(3-methylimidazol-4-yl)-1,3-benzothiazol-6-amine
SMILESCn1cncc1-c1nc2ccc(N)cc2s1
InChIInChI=1S/C11H10N4S/c1-15-6-13-5-9(15)11-14-8-3-2-7(12)4-10(8)16-11/h2-6H,12H2,1H3
InChIKeyQXPLTINPLAACSS-UHFFFAOYSA-N
MW230.30 g/mol
LogP2.28
Rot. Bonds1

About 2-(3-methylimidazol-4-yl)-1,3-benzothiazol-6-amine

2-(3-methylimidazol-4-yl)-1,3-benzothiazol-6-amine (PubChem CID 103512391) has the molecular formula C11H10N4S and a molecular weight of 230.30 g/mol. Its IUPAC name is 2-(3-methylimidazol-4-yl)-1,3-benzothiazol-6-amine.

Molecular Properties

Compound Name2-(3-methylimidazol-4-yl)-1,3-benzothiazol-6-amine
PubChem CID103512391
Molecular FormulaC11H10N4S
Molecular Weight230.30 g/mol
Exact Mass230.06
IUPAC Name2-(3-methylimidazol-4-yl)-1,3-benzothiazol-6-amine
SMILESCn1cncc1-c1nc2ccc(N)cc2s1
InChIInChI=1S/C11H10N4S/c1-15-6-13-5-9(15)11-14-8-3-2-7(12)4-10(8)16-11/h2-6H,12H2,1H3
InChIKeyQXPLTINPLAACSS-UHFFFAOYSA-N
XLogP2.28
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.30
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylimidazol-4-yl)-1,3-benzothiazol-6-amine?
The IUPAC name of 2-(3-methylimidazol-4-yl)-1,3-benzothiazol-6-amine (CID 103512391) is 2-(3-methylimidazol-4-yl)-1,3-benzothiazol-6-amine.
What is the SMILES notation for 2-(3-methylimidazol-4-yl)-1,3-benzothiazol-6-amine?
The canonical SMILES for 2-(3-methylimidazol-4-yl)-1,3-benzothiazol-6-amine is Cn1cncc1-c1nc2ccc(N)cc2s1.
What is the InChIKey of 2-(3-methylimidazol-4-yl)-1,3-benzothiazol-6-amine?
The InChIKey is QXPLTINPLAACSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4S/c1-15-6-13-5-9(15)11-14-8-3-2-7(12)4-10(8)16-11/h2-6H,12H2,1H3.
What are the key properties of 2-(3-methylimidazol-4-yl)-1,3-benzothiazol-6-amine?
2-(3-methylimidazol-4-yl)-1,3-benzothiazol-6-amine has a molecular weight of 230.30 g/mol, XLogP of 2.28, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylimidazol-4-yl)-1,3-benzothiazol-6-amine is sourced from PubChem (CID 103512391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).