6-(6-methoxy-3-pyridinyl)-1,3-benzothiazol-2-amine

C13H11N3OS — CID 51003592

IUPAC6-(6-methoxy-3-pyridinyl)-1,3-benzothiazol-2-amine
SMILESCOc1ccc(-c2ccc3nc(N)sc3c2)cn1
InChIInChI=1S/C13H11N3OS/c1-17-12-5-3-9(7-15-12)8-2-4-10-11(6-8)18-13(14)16-10/h2-7H,1H3,(H2,14,16)
InChIKeyCBBGVZCNBLEQID-UHFFFAOYSA-N
MW257.32 g/mol
LogP2.95
Rot. Bonds2

About 6-(6-methoxy-3-pyridinyl)-1,3-benzothiazol-2-amine

6-(6-methoxy-3-pyridinyl)-1,3-benzothiazol-2-amine (PubChem CID 51003592) has the molecular formula C13H11N3OS and a molecular weight of 257.32 g/mol. Its IUPAC name is 6-(6-methoxy-3-pyridinyl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-(6-methoxy-3-pyridinyl)-1,3-benzothiazol-2-amine
PubChem CID51003592
Molecular FormulaC13H11N3OS
Molecular Weight257.32 g/mol
Exact Mass257.06
IUPAC Name6-(6-methoxy-3-pyridinyl)-1,3-benzothiazol-2-amine
SMILESCOc1ccc(-c2ccc3nc(N)sc3c2)cn1
InChIInChI=1S/C13H11N3OS/c1-17-12-5-3-9(7-15-12)8-2-4-10-11(6-8)18-13(14)16-10/h2-7H,1H3,(H2,14,16)
InChIKeyCBBGVZCNBLEQID-UHFFFAOYSA-N
XLogP2.95
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.32
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-(6-methoxy-3-pyridinyl)-1,3-benzothiazol-2-amine 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 6-(6-methoxy-3-pyridinyl)-1,3-benzothiazol-2-amine?
The IUPAC name of 6-(6-methoxy-3-pyridinyl)-1,3-benzothiazol-2-amine (CID 51003592) is 6-(6-methoxy-3-pyridinyl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-(6-methoxy-3-pyridinyl)-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-(6-methoxy-3-pyridinyl)-1,3-benzothiazol-2-amine is COc1ccc(-c2ccc3nc(N)sc3c2)cn1.
What is the InChIKey of 6-(6-methoxy-3-pyridinyl)-1,3-benzothiazol-2-amine?
The InChIKey is CBBGVZCNBLEQID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3OS/c1-17-12-5-3-9(7-15-12)8-2-4-10-11(6-8)18-13(14)16-10/h2-7H,1H3,(H2,14,16).
What are the key properties of 6-(6-methoxy-3-pyridinyl)-1,3-benzothiazol-2-amine?
6-(6-methoxy-3-pyridinyl)-1,3-benzothiazol-2-amine has a molecular weight of 257.32 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-methoxy-3-pyridinyl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 51003592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).