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

C17H15N3OS — CID 51002655

IUPAC2-[4-(dimethylamino)phenyl]imidazo[2,1-b][1,3]benzothiazol-6-ol
SMILESCN(C)c1ccc(-c2cn3c(n2)sc2cc(O)ccc23)cc1
InChIInChI=1S/C17H15N3OS/c1-19(2)12-5-3-11(4-6-12)14-10-20-15-8-7-13(21)9-16(15)22-17(20)18-14/h3-10,21H,1-2H3
InChIKeyYKODXLWGQMSHIP-UHFFFAOYSA-N
MW309.39 g/mol
LogP3.99
Rot. Bonds2

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

2-[4-(dimethylamino)phenyl]imidazo[2,1-b][1,3]benzothiazol-6-ol (PubChem CID 51002655) has the molecular formula C17H15N3OS and a molecular weight of 309.39 g/mol. Its IUPAC name is 2-[4-(dimethylamino)phenyl]imidazo[2,1-b][1,3]benzothiazol-6-ol.

Molecular Properties

Compound Name2-[4-(dimethylamino)phenyl]imidazo[2,1-b][1,3]benzothiazol-6-ol
PubChem CID51002655
Molecular FormulaC17H15N3OS
Molecular Weight309.39 g/mol
Exact Mass309.09
IUPAC Name2-[4-(dimethylamino)phenyl]imidazo[2,1-b][1,3]benzothiazol-6-ol
SMILESCN(C)c1ccc(-c2cn3c(n2)sc2cc(O)ccc23)cc1
InChIInChI=1S/C17H15N3OS/c1-19(2)12-5-3-11(4-6-12)14-10-20-15-8-7-13(21)9-16(15)22-17(20)18-14/h3-10,21H,1-2H3
InChIKeyYKODXLWGQMSHIP-UHFFFAOYSA-N
XLogP3.99
TPSA40.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylamino)phenyl]imidazo[2,1-b][1,3]benzothiazol-6-ol?
The IUPAC name of 2-[4-(dimethylamino)phenyl]imidazo[2,1-b][1,3]benzothiazol-6-ol (CID 51002655) is 2-[4-(dimethylamino)phenyl]imidazo[2,1-b][1,3]benzothiazol-6-ol.
What is the SMILES notation for 2-[4-(dimethylamino)phenyl]imidazo[2,1-b][1,3]benzothiazol-6-ol?
The canonical SMILES for 2-[4-(dimethylamino)phenyl]imidazo[2,1-b][1,3]benzothiazol-6-ol is CN(C)c1ccc(-c2cn3c(n2)sc2cc(O)ccc23)cc1.
What is the InChIKey of 2-[4-(dimethylamino)phenyl]imidazo[2,1-b][1,3]benzothiazol-6-ol?
The InChIKey is YKODXLWGQMSHIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3OS/c1-19(2)12-5-3-11(4-6-12)14-10-20-15-8-7-13(21)9-16(15)22-17(20)18-14/h3-10,21H,1-2H3.
What are the key properties of 2-[4-(dimethylamino)phenyl]imidazo[2,1-b][1,3]benzothiazol-6-ol?
2-[4-(dimethylamino)phenyl]imidazo[2,1-b][1,3]benzothiazol-6-ol has a molecular weight of 309.39 g/mol, XLogP of 3.99, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylamino)phenyl]imidazo[2,1-b][1,3]benzothiazol-6-ol is sourced from PubChem (CID 51002655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).