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

C16H13N3OS — CID 51002650

IUPAC2-[4-(methylamino)phenyl]imidazo[2,1-b][1,3]benzothiazol-6-ol
SMILESCNc1ccc(-c2cn3c(n2)sc2cc(O)ccc23)cc1
InChIInChI=1S/C16H13N3OS/c1-17-11-4-2-10(3-5-11)13-9-19-14-7-6-12(20)8-15(14)21-16(19)18-13/h2-9,17,20H,1H3
InChIKeyVSYPCNYTDMGCTF-UHFFFAOYSA-N
MW295.37 g/mol
LogP3.96
Rot. Bonds2

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

2-[4-(methylamino)phenyl]imidazo[2,1-b][1,3]benzothiazol-6-ol (PubChem CID 51002650) has the molecular formula C16H13N3OS and a molecular weight of 295.37 g/mol. Its IUPAC name is 2-[4-(methylamino)phenyl]imidazo[2,1-b][1,3]benzothiazol-6-ol.

Molecular Properties

Compound Name2-[4-(methylamino)phenyl]imidazo[2,1-b][1,3]benzothiazol-6-ol
PubChem CID51002650
Molecular FormulaC16H13N3OS
Molecular Weight295.37 g/mol
Exact Mass295.08
IUPAC Name2-[4-(methylamino)phenyl]imidazo[2,1-b][1,3]benzothiazol-6-ol
SMILESCNc1ccc(-c2cn3c(n2)sc2cc(O)ccc23)cc1
InChIInChI=1S/C16H13N3OS/c1-17-11-4-2-10(3-5-11)13-9-19-14-7-6-12(20)8-15(14)21-16(19)18-13/h2-9,17,20H,1H3
InChIKeyVSYPCNYTDMGCTF-UHFFFAOYSA-N
XLogP3.96
TPSA49.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(methylamino)phenyl]imidazo[2,1-b][1,3]benzothiazol-6-ol?
The IUPAC name of 2-[4-(methylamino)phenyl]imidazo[2,1-b][1,3]benzothiazol-6-ol (CID 51002650) is 2-[4-(methylamino)phenyl]imidazo[2,1-b][1,3]benzothiazol-6-ol.
What is the SMILES notation for 2-[4-(methylamino)phenyl]imidazo[2,1-b][1,3]benzothiazol-6-ol?
The canonical SMILES for 2-[4-(methylamino)phenyl]imidazo[2,1-b][1,3]benzothiazol-6-ol is CNc1ccc(-c2cn3c(n2)sc2cc(O)ccc23)cc1.
What is the InChIKey of 2-[4-(methylamino)phenyl]imidazo[2,1-b][1,3]benzothiazol-6-ol?
The InChIKey is VSYPCNYTDMGCTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3OS/c1-17-11-4-2-10(3-5-11)13-9-19-14-7-6-12(20)8-15(14)21-16(19)18-13/h2-9,17,20H,1H3.
What are the key properties of 2-[4-(methylamino)phenyl]imidazo[2,1-b][1,3]benzothiazol-6-ol?
2-[4-(methylamino)phenyl]imidazo[2,1-b][1,3]benzothiazol-6-ol has a molecular weight of 295.37 g/mol, XLogP of 3.96, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(methylamino)phenyl]imidazo[2,1-b][1,3]benzothiazol-6-ol is sourced from PubChem (CID 51002650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).