5-(6-methoxy-1,3-benzothiazol-2-yl)-N,N-dimethylpyridin-2-amine

C15H15N3OS — CID 24757878

IUPAC5-(6-methoxy-1,3-benzothiazol-2-yl)-N,N-dimethylpyridin-2-amine
SMILESCOc1ccc2nc(-c3ccc(N(C)C)nc3)sc2c1
InChIInChI=1S/C15H15N3OS/c1-18(2)14-7-4-10(9-16-14)15-17-12-6-5-11(19-3)8-13(12)20-15/h4-9H,1-3H3
InChIKeyYSDJDKJCGPQBOH-UHFFFAOYSA-N
MW285.37 g/mol
LogP3.43
Rot. Bonds3

About 5-(6-methoxy-1,3-benzothiazol-2-yl)-N,N-dimethylpyridin-2-amine

5-(6-methoxy-1,3-benzothiazol-2-yl)-N,N-dimethylpyridin-2-amine (PubChem CID 24757878) has the molecular formula C15H15N3OS and a molecular weight of 285.37 g/mol. Its IUPAC name is 5-(6-methoxy-1,3-benzothiazol-2-yl)-N,N-dimethylpyridin-2-amine.

Molecular Properties

Compound Name5-(6-methoxy-1,3-benzothiazol-2-yl)-N,N-dimethylpyridin-2-amine
PubChem CID24757878
Molecular FormulaC15H15N3OS
Molecular Weight285.37 g/mol
Exact Mass285.09
IUPAC Name5-(6-methoxy-1,3-benzothiazol-2-yl)-N,N-dimethylpyridin-2-amine
SMILESCOc1ccc2nc(-c3ccc(N(C)C)nc3)sc2c1
InChIInChI=1S/C15H15N3OS/c1-18(2)14-7-4-10(9-16-14)15-17-12-6-5-11(19-3)8-13(12)20-15/h4-9H,1-3H3
InChIKeyYSDJDKJCGPQBOH-UHFFFAOYSA-N
XLogP3.43
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(6-methoxy-1,3-benzothiazol-2-yl)-N,N-dimethylpyridin-2-amine?
The IUPAC name of 5-(6-methoxy-1,3-benzothiazol-2-yl)-N,N-dimethylpyridin-2-amine (CID 24757878) is 5-(6-methoxy-1,3-benzothiazol-2-yl)-N,N-dimethylpyridin-2-amine.
What is the SMILES notation for 5-(6-methoxy-1,3-benzothiazol-2-yl)-N,N-dimethylpyridin-2-amine?
The canonical SMILES for 5-(6-methoxy-1,3-benzothiazol-2-yl)-N,N-dimethylpyridin-2-amine is COc1ccc2nc(-c3ccc(N(C)C)nc3)sc2c1.
What is the InChIKey of 5-(6-methoxy-1,3-benzothiazol-2-yl)-N,N-dimethylpyridin-2-amine?
The InChIKey is YSDJDKJCGPQBOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS/c1-18(2)14-7-4-10(9-16-14)15-17-12-6-5-11(19-3)8-13(12)20-15/h4-9H,1-3H3.
What are the key properties of 5-(6-methoxy-1,3-benzothiazol-2-yl)-N,N-dimethylpyridin-2-amine?
5-(6-methoxy-1,3-benzothiazol-2-yl)-N,N-dimethylpyridin-2-amine has a molecular weight of 285.37 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-methoxy-1,3-benzothiazol-2-yl)-N,N-dimethylpyridin-2-amine is sourced from PubChem (CID 24757878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).