2-[4-((111C)methylamino)phenyl]-1,3-benzothiazol-6-ol

C14H12N2OS — CID 2826731

IUPAC2-[4-((111C)methylamino)phenyl]-1,3-benzothiazol-6-ol
SMILES[11CH3]Nc1ccc(-c2nc3ccc(O)cc3s2)cc1
InChIInChI=1S/C14H12N2OS/c1-15-10-4-2-9(3-5-10)14-16-12-7-6-11(17)8-13(12)18-14/h2-8,15,17H,1H3/i1-1
InChIKeyZQAQXZBSGZUUNL-BJUDXGSMSA-N
MW255.33 g/mol
LogP3.71
Rot. Bonds2

About 2-[4-((111C)methylamino)phenyl]-1,3-benzothiazol-6-ol

2-[4-((111C)methylamino)phenyl]-1,3-benzothiazol-6-ol (PubChem CID 2826731) has the molecular formula C14H12N2OS and a molecular weight of 255.33 g/mol. Its IUPAC name is 2-[4-((111C)methylamino)phenyl]-1,3-benzothiazol-6-ol.

Molecular Properties

Compound Name2-[4-((111C)methylamino)phenyl]-1,3-benzothiazol-6-ol
PubChem CID2826731
Molecular FormulaC14H12N2OS
Molecular Weight255.33 g/mol
Exact Mass255.08
IUPAC Name2-[4-((111C)methylamino)phenyl]-1,3-benzothiazol-6-ol
SMILES[11CH3]Nc1ccc(-c2nc3ccc(O)cc3s2)cc1
InChIInChI=1S/C14H12N2OS/c1-15-10-4-2-9(3-5-10)14-16-12-7-6-11(17)8-13(12)18-14/h2-8,15,17H,1H3/i1-1
InChIKeyZQAQXZBSGZUUNL-BJUDXGSMSA-N
XLogP3.71
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.33
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-((111C)methylamino)phenyl]-1,3-benzothiazol-6-ol?
The IUPAC name of 2-[4-((111C)methylamino)phenyl]-1,3-benzothiazol-6-ol (CID 2826731) is 2-[4-((111C)methylamino)phenyl]-1,3-benzothiazol-6-ol.
What is the SMILES notation for 2-[4-((111C)methylamino)phenyl]-1,3-benzothiazol-6-ol?
The canonical SMILES for 2-[4-((111C)methylamino)phenyl]-1,3-benzothiazol-6-ol is [11CH3]Nc1ccc(-c2nc3ccc(O)cc3s2)cc1.
What is the InChIKey of 2-[4-((111C)methylamino)phenyl]-1,3-benzothiazol-6-ol?
The InChIKey is ZQAQXZBSGZUUNL-BJUDXGSMSA-N. The full InChI is InChI=1S/C14H12N2OS/c1-15-10-4-2-9(3-5-10)14-16-12-7-6-11(17)8-13(12)18-14/h2-8,15,17H,1H3/i1-1.
What are the key properties of 2-[4-((111C)methylamino)phenyl]-1,3-benzothiazol-6-ol?
2-[4-((111C)methylamino)phenyl]-1,3-benzothiazol-6-ol has a molecular weight of 255.33 g/mol, XLogP of 3.71, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-((111C)methylamino)phenyl]-1,3-benzothiazol-6-ol is sourced from PubChem (CID 2826731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).