5,7-dimethyl-1,3-benzothiazol-2-amine

C9H10N2S — CID 2049896

IUPAC5,7-dimethyl-1,3-benzothiazol-2-amine
SMILESCc1cc(C)c2sc(N)nc2c1
InChIInChI=1S/C9H10N2S/c1-5-3-6(2)8-7(4-5)11-9(10)12-8/h3-4H,1-2H3,(H2,10,11)
InChIKeyAKPWHGBCJISNKZ-UHFFFAOYSA-N
MW178.26 g/mol
LogP2.50
Rot. Bonds

About 5,7-dimethyl-1,3-benzothiazol-2-amine

5,7-dimethyl-1,3-benzothiazol-2-amine (PubChem CID 2049896) has the molecular formula C9H10N2S and a molecular weight of 178.26 g/mol. Its IUPAC name is 5,7-dimethyl-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name5,7-dimethyl-1,3-benzothiazol-2-amine
PubChem CID2049896
Molecular FormulaC9H10N2S
Molecular Weight178.26 g/mol
Exact Mass178.06
IUPAC Name5,7-dimethyl-1,3-benzothiazol-2-amine
SMILESCc1cc(C)c2sc(N)nc2c1
InChIInChI=1S/C9H10N2S/c1-5-3-6(2)8-7(4-5)11-9(10)12-8/h3-4H,1-2H3,(H2,10,11)
InChIKeyAKPWHGBCJISNKZ-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

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Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-1,3-benzothiazol-2-amine?
The IUPAC name of 5,7-dimethyl-1,3-benzothiazol-2-amine (CID 2049896) is 5,7-dimethyl-1,3-benzothiazol-2-amine.
What is the SMILES notation for 5,7-dimethyl-1,3-benzothiazol-2-amine?
The canonical SMILES for 5,7-dimethyl-1,3-benzothiazol-2-amine is Cc1cc(C)c2sc(N)nc2c1.
What is the InChIKey of 5,7-dimethyl-1,3-benzothiazol-2-amine?
The InChIKey is AKPWHGBCJISNKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2S/c1-5-3-6(2)8-7(4-5)11-9(10)12-8/h3-4H,1-2H3,(H2,10,11).
What are the key properties of 5,7-dimethyl-1,3-benzothiazol-2-amine?
5,7-dimethyl-1,3-benzothiazol-2-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 5,7-dimethyl-1,3-benzothiazol-2-amine is sourced from PubChem (CID 2049896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).