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

C16H16N2OS — CID 58479462

IUPAC[2-[4-(dimethylamino)phenyl]-1,3-benzothiazol-6-yl]methanol
SMILESCN(C)c1ccc(-c2nc3ccc(CO)cc3s2)cc1
InChIInChI=1S/C16H16N2OS/c1-18(2)13-6-4-12(5-7-13)16-17-14-8-3-11(10-19)9-15(14)20-16/h3-9,19H,10H2,1-2H3
InChIKeyNJPIWBJHOWCQGQ-UHFFFAOYSA-N
MW284.38 g/mol
LogP3.52
Rot. Bonds3

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

[2-[4-(dimethylamino)phenyl]-1,3-benzothiazol-6-yl]methanol (PubChem CID 58479462) has the molecular formula C16H16N2OS and a molecular weight of 284.38 g/mol. Its IUPAC name is [2-[4-(dimethylamino)phenyl]-1,3-benzothiazol-6-yl]methanol.

Molecular Properties

Compound Name[2-[4-(dimethylamino)phenyl]-1,3-benzothiazol-6-yl]methanol
PubChem CID58479462
Molecular FormulaC16H16N2OS
Molecular Weight284.38 g/mol
Exact Mass284.10
IUPAC Name[2-[4-(dimethylamino)phenyl]-1,3-benzothiazol-6-yl]methanol
SMILESCN(C)c1ccc(-c2nc3ccc(CO)cc3s2)cc1
InChIInChI=1S/C16H16N2OS/c1-18(2)13-6-4-12(5-7-13)16-17-14-8-3-11(10-19)9-15(14)20-16/h3-9,19H,10H2,1-2H3
InChIKeyNJPIWBJHOWCQGQ-UHFFFAOYSA-N
XLogP3.52
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 53.52
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-yl]methanol?
The IUPAC name of [2-[4-(dimethylamino)phenyl]-1,3-benzothiazol-6-yl]methanol (CID 58479462) is [2-[4-(dimethylamino)phenyl]-1,3-benzothiazol-6-yl]methanol.
What is the SMILES notation for [2-[4-(dimethylamino)phenyl]-1,3-benzothiazol-6-yl]methanol?
The canonical SMILES for [2-[4-(dimethylamino)phenyl]-1,3-benzothiazol-6-yl]methanol is CN(C)c1ccc(-c2nc3ccc(CO)cc3s2)cc1.
What is the InChIKey of [2-[4-(dimethylamino)phenyl]-1,3-benzothiazol-6-yl]methanol?
The InChIKey is NJPIWBJHOWCQGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2OS/c1-18(2)13-6-4-12(5-7-13)16-17-14-8-3-11(10-19)9-15(14)20-16/h3-9,19H,10H2,1-2H3.
What are the key properties of [2-[4-(dimethylamino)phenyl]-1,3-benzothiazol-6-yl]methanol?
[2-[4-(dimethylamino)phenyl]-1,3-benzothiazol-6-yl]methanol has a molecular weight of 284.38 g/mol, XLogP of 3.52, 3 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-yl]methanol is sourced from PubChem (CID 58479462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).