2-(2-phenylimidazo[2,1-b][1,3]benzothiazol-6-yl)morpholine;dihydrochloride

C19H19Cl2N3OS — CID 139808442

IUPAC2-(2-phenylimidazo[2,1-b][1,3]benzothiazol-6-yl)morpholine;dihydrochloride
SMILESCl.Cl.c1ccc(-c2cn3c(n2)sc2cc(C4CNCCO4)ccc23)cc1
InChIInChI=1S/C19H17N3OS.2ClH/c1-2-4-13(5-3-1)15-12-22-16-7-6-14(17-11-20-8-9-23-17)10-18(16)24-19(22)21-15;;/h1-7,10,12,17,20H,8-9,11H2;2*1H
InChIKeyWTVVYJVPIIVPRO-UHFFFAOYSA-N
MW408.35 g/mol
LogP4.72
Rot. Bonds2

About 2-(2-phenylimidazo[2,1-b][1,3]benzothiazol-6-yl)morpholine;dihydrochloride

2-(2-phenylimidazo[2,1-b][1,3]benzothiazol-6-yl)morpholine;dihydrochloride (PubChem CID 139808442) has the molecular formula C19H19Cl2N3OS and a molecular weight of 408.35 g/mol. Its IUPAC name is 2-(2-phenylimidazo[2,1-b][1,3]benzothiazol-6-yl)morpholine;dihydrochloride.

Molecular Properties

Compound Name2-(2-phenylimidazo[2,1-b][1,3]benzothiazol-6-yl)morpholine;dihydrochloride
PubChem CID139808442
Molecular FormulaC19H19Cl2N3OS
Molecular Weight408.35 g/mol
Exact Mass407.06
IUPAC Name2-(2-phenylimidazo[2,1-b][1,3]benzothiazol-6-yl)morpholine;dihydrochloride
SMILESCl.Cl.c1ccc(-c2cn3c(n2)sc2cc(C4CNCCO4)ccc23)cc1
InChIInChI=1S/C19H17N3OS.2ClH/c1-2-4-13(5-3-1)15-12-22-16-7-6-14(17-11-20-8-9-23-17)10-18(16)24-19(22)21-15;;/h1-7,10,12,17,20H,8-9,11H2;2*1H
InChIKeyWTVVYJVPIIVPRO-UHFFFAOYSA-N
XLogP4.72
TPSA38.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.35
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylimidazo[2,1-b][1,3]benzothiazol-6-yl)morpholine;dihydrochloride?
The IUPAC name of 2-(2-phenylimidazo[2,1-b][1,3]benzothiazol-6-yl)morpholine;dihydrochloride (CID 139808442) is 2-(2-phenylimidazo[2,1-b][1,3]benzothiazol-6-yl)morpholine;dihydrochloride.
What is the SMILES notation for 2-(2-phenylimidazo[2,1-b][1,3]benzothiazol-6-yl)morpholine;dihydrochloride?
The canonical SMILES for 2-(2-phenylimidazo[2,1-b][1,3]benzothiazol-6-yl)morpholine;dihydrochloride is Cl.Cl.c1ccc(-c2cn3c(n2)sc2cc(C4CNCCO4)ccc23)cc1.
What is the InChIKey of 2-(2-phenylimidazo[2,1-b][1,3]benzothiazol-6-yl)morpholine;dihydrochloride?
The InChIKey is WTVVYJVPIIVPRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3OS.2ClH/c1-2-4-13(5-3-1)15-12-22-16-7-6-14(17-11-20-8-9-23-17)10-18(16)24-19(22)21-15;;/h1-7,10,12,17,20H,8-9,11H2;2*1H.
What are the key properties of 2-(2-phenylimidazo[2,1-b][1,3]benzothiazol-6-yl)morpholine;dihydrochloride?
2-(2-phenylimidazo[2,1-b][1,3]benzothiazol-6-yl)morpholine;dihydrochloride has a molecular weight of 408.35 g/mol, XLogP of 4.72, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylimidazo[2,1-b][1,3]benzothiazol-6-yl)morpholine;dihydrochloride is sourced from PubChem (CID 139808442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).