2-[6-(methylamino)-3-pyridinyl]-1,3-benzothiazol-6-ol

C13H11N3OS — CID 16663275

IUPAC2-[6-(methylamino)-3-pyridinyl]-1,3-benzothiazol-6-ol
SMILESCNc1ccc(-c2nc3ccc(O)cc3s2)cn1
InChIInChI=1S/C13H11N3OS/c1-14-12-5-2-8(7-15-12)13-16-10-4-3-9(17)6-11(10)18-13/h2-7,17H,1H3,(H,14,15)
InChIKeyFYTAUNFPOYWHBC-UHFFFAOYSA-N
MW257.32 g/mol
LogP3.11
Rot. Bonds2

About 2-[6-(methylamino)-3-pyridinyl]-1,3-benzothiazol-6-ol

2-[6-(methylamino)-3-pyridinyl]-1,3-benzothiazol-6-ol (PubChem CID 16663275) has the molecular formula C13H11N3OS and a molecular weight of 257.32 g/mol. Its IUPAC name is 2-[6-(methylamino)-3-pyridinyl]-1,3-benzothiazol-6-ol.

Molecular Properties

Compound Name2-[6-(methylamino)-3-pyridinyl]-1,3-benzothiazol-6-ol
PubChem CID16663275
Molecular FormulaC13H11N3OS
Molecular Weight257.32 g/mol
Exact Mass257.06
IUPAC Name2-[6-(methylamino)-3-pyridinyl]-1,3-benzothiazol-6-ol
SMILESCNc1ccc(-c2nc3ccc(O)cc3s2)cn1
InChIInChI=1S/C13H11N3OS/c1-14-12-5-2-8(7-15-12)13-16-10-4-3-9(17)6-11(10)18-13/h2-7,17H,1H3,(H,14,15)
InChIKeyFYTAUNFPOYWHBC-UHFFFAOYSA-N
XLogP3.11
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.32
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[6-(methylamino)-3-pyridinyl]-1,3-benzothiazol-6-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[6-(methylamino)-3-pyridinyl]-1,3-benzothiazol-6-ol?
The IUPAC name of 2-[6-(methylamino)-3-pyridinyl]-1,3-benzothiazol-6-ol (CID 16663275) is 2-[6-(methylamino)-3-pyridinyl]-1,3-benzothiazol-6-ol.
What is the SMILES notation for 2-[6-(methylamino)-3-pyridinyl]-1,3-benzothiazol-6-ol?
The canonical SMILES for 2-[6-(methylamino)-3-pyridinyl]-1,3-benzothiazol-6-ol is CNc1ccc(-c2nc3ccc(O)cc3s2)cn1.
What is the InChIKey of 2-[6-(methylamino)-3-pyridinyl]-1,3-benzothiazol-6-ol?
The InChIKey is FYTAUNFPOYWHBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3OS/c1-14-12-5-2-8(7-15-12)13-16-10-4-3-9(17)6-11(10)18-13/h2-7,17H,1H3,(H,14,15).
What are the key properties of 2-[6-(methylamino)-3-pyridinyl]-1,3-benzothiazol-6-ol?
2-[6-(methylamino)-3-pyridinyl]-1,3-benzothiazol-6-ol has a molecular weight of 257.32 g/mol, XLogP of 3.11, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(methylamino)-3-pyridinyl]-1,3-benzothiazol-6-ol is sourced from PubChem (CID 16663275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).