2-[4-(dimethylamino)phenyl]-1,3-benzothiazol-6-ol

C15H14N2OS — CID 10956585

IUPAC2-[4-(dimethylamino)phenyl]-1,3-benzothiazol-6-ol
SMILESCN(C)c1ccc(-c2nc3ccc(O)cc3s2)cc1
InChIInChI=1S/C15H14N2OS/c1-17(2)11-5-3-10(4-6-11)15-16-13-8-7-12(18)9-14(13)19-15/h3-9,18H,1-2H3
InChIKeyWDXCWXZECJHKRF-UHFFFAOYSA-N
MW270.36 g/mol
LogP3.73
Rot. Bonds2

About 2-[4-(dimethylamino)phenyl]-1,3-benzothiazol-6-ol

2-[4-(dimethylamino)phenyl]-1,3-benzothiazol-6-ol (PubChem CID 10956585) has the molecular formula C15H14N2OS and a molecular weight of 270.36 g/mol. Its IUPAC name is 2-[4-(dimethylamino)phenyl]-1,3-benzothiazol-6-ol.

Molecular Properties

Compound Name2-[4-(dimethylamino)phenyl]-1,3-benzothiazol-6-ol
PubChem CID10956585
Molecular FormulaC15H14N2OS
Molecular Weight270.36 g/mol
Exact Mass270.08
IUPAC Name2-[4-(dimethylamino)phenyl]-1,3-benzothiazol-6-ol
SMILESCN(C)c1ccc(-c2nc3ccc(O)cc3s2)cc1
InChIInChI=1S/C15H14N2OS/c1-17(2)11-5-3-10(4-6-11)15-16-13-8-7-12(18)9-14(13)19-15/h3-9,18H,1-2H3
InChIKeyWDXCWXZECJHKRF-UHFFFAOYSA-N
XLogP3.73
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_G(9)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylamino)phenyl]-1,3-benzothiazol-6-ol?
The IUPAC name of 2-[4-(dimethylamino)phenyl]-1,3-benzothiazol-6-ol (CID 10956585) is 2-[4-(dimethylamino)phenyl]-1,3-benzothiazol-6-ol.
What is the SMILES notation for 2-[4-(dimethylamino)phenyl]-1,3-benzothiazol-6-ol?
The canonical SMILES for 2-[4-(dimethylamino)phenyl]-1,3-benzothiazol-6-ol is CN(C)c1ccc(-c2nc3ccc(O)cc3s2)cc1.
What is the InChIKey of 2-[4-(dimethylamino)phenyl]-1,3-benzothiazol-6-ol?
The InChIKey is WDXCWXZECJHKRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2OS/c1-17(2)11-5-3-10(4-6-11)15-16-13-8-7-12(18)9-14(13)19-15/h3-9,18H,1-2H3.
What are the key properties of 2-[4-(dimethylamino)phenyl]-1,3-benzothiazol-6-ol?
2-[4-(dimethylamino)phenyl]-1,3-benzothiazol-6-ol has a molecular weight of 270.36 g/mol, XLogP of 3.73, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylamino)phenyl]-1,3-benzothiazol-6-ol is sourced from PubChem (CID 10956585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).