2,6-dimethyl-1,3-benzothiazol-5-amine

C9H10N2S — CID 46912036

IUPAC2,6-dimethyl-1,3-benzothiazol-5-amine
SMILESCc1nc2cc(N)c(C)cc2s1
InChIInChI=1S/C9H10N2S/c1-5-3-9-8(4-7(5)10)11-6(2)12-9/h3-4H,10H2,1-2H3
InChIKeyUNMHKVQRNMMFOY-UHFFFAOYSA-N
MW178.26 g/mol
LogP2.50
Rot. Bonds

About 2,6-dimethyl-1,3-benzothiazol-5-amine

2,6-dimethyl-1,3-benzothiazol-5-amine (PubChem CID 46912036) has the molecular formula C9H10N2S and a molecular weight of 178.26 g/mol. Its IUPAC name is 2,6-dimethyl-1,3-benzothiazol-5-amine.

Molecular Properties

Compound Name2,6-dimethyl-1,3-benzothiazol-5-amine
PubChem CID46912036
Molecular FormulaC9H10N2S
Molecular Weight178.26 g/mol
Exact Mass178.06
IUPAC Name2,6-dimethyl-1,3-benzothiazol-5-amine
SMILESCc1nc2cc(N)c(C)cc2s1
InChIInChI=1S/C9H10N2S/c1-5-3-9-8(4-7(5)10)11-6(2)12-9/h3-4H,10H2,1-2H3
InChIKeyUNMHKVQRNMMFOY-UHFFFAOYSA-N
XLogP2.50
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.26
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-1,3-benzothiazol-5-amine?
The IUPAC name of 2,6-dimethyl-1,3-benzothiazol-5-amine (CID 46912036) is 2,6-dimethyl-1,3-benzothiazol-5-amine.
What is the SMILES notation for 2,6-dimethyl-1,3-benzothiazol-5-amine?
The canonical SMILES for 2,6-dimethyl-1,3-benzothiazol-5-amine is Cc1nc2cc(N)c(C)cc2s1.
What is the InChIKey of 2,6-dimethyl-1,3-benzothiazol-5-amine?
The InChIKey is UNMHKVQRNMMFOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2S/c1-5-3-9-8(4-7(5)10)11-6(2)12-9/h3-4H,10H2,1-2H3.
What are the key properties of 2,6-dimethyl-1,3-benzothiazol-5-amine?
2,6-dimethyl-1,3-benzothiazol-5-amine has a molecular weight of 178.26 g/mol, XLogP of 2.50, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-1,3-benzothiazol-5-amine is sourced from PubChem (CID 46912036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).