2-methoxy-6-[(2-morpholin-4-yl-1,3-benzothiazol-6-yl)iminomethyl]phenol

C19H19N3O3S — CID 135758653

IUPAC2-methoxy-6-[(2-morpholin-4-yl-1,3-benzothiazol-6-yl)iminomethyl]phenol
SMILESCOc1cccc(/C=N/c2ccc3nc(N4CCOCC4)sc3c2)c1O
InChIInChI=1S/C19H19N3O3S/c1-24-16-4-2-3-13(18(16)23)12-20-14-5-6-15-17(11-14)26-19(21-15)22-7-9-25-10-8-22/h2-6,11-12,23H,7-10H2,1H3/b20-12+
InChIKeyBXTJSIIBJXGQFA-UDWIEESQSA-N
MW369.45 g/mol
LogP3.60
Rot. Bonds4

About 2-methoxy-6-[(2-morpholin-4-yl-1,3-benzothiazol-6-yl)iminomethyl]phenol

2-methoxy-6-[(2-morpholin-4-yl-1,3-benzothiazol-6-yl)iminomethyl]phenol (PubChem CID 135758653) has the molecular formula C19H19N3O3S and a molecular weight of 369.45 g/mol. Its IUPAC name is 2-methoxy-6-[(2-morpholin-4-yl-1,3-benzothiazol-6-yl)iminomethyl]phenol.

Molecular Properties

Compound Name2-methoxy-6-[(2-morpholin-4-yl-1,3-benzothiazol-6-yl)iminomethyl]phenol
PubChem CID135758653
Molecular FormulaC19H19N3O3S
Molecular Weight369.45 g/mol
Exact Mass369.11
IUPAC Name2-methoxy-6-[(2-morpholin-4-yl-1,3-benzothiazol-6-yl)iminomethyl]phenol
SMILESCOc1cccc(/C=N/c2ccc3nc(N4CCOCC4)sc3c2)c1O
InChIInChI=1S/C19H19N3O3S/c1-24-16-4-2-3-13(18(16)23)12-20-14-5-6-15-17(11-14)26-19(21-15)22-7-9-25-10-8-22/h2-6,11-12,23H,7-10H2,1H3/b20-12+
InChIKeyBXTJSIIBJXGQFA-UDWIEESQSA-N
XLogP3.60
TPSA67.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-[(2-morpholin-4-yl-1,3-benzothiazol-6-yl)iminomethyl]phenol?
The IUPAC name of 2-methoxy-6-[(2-morpholin-4-yl-1,3-benzothiazol-6-yl)iminomethyl]phenol (CID 135758653) is 2-methoxy-6-[(2-morpholin-4-yl-1,3-benzothiazol-6-yl)iminomethyl]phenol.
What is the SMILES notation for 2-methoxy-6-[(2-morpholin-4-yl-1,3-benzothiazol-6-yl)iminomethyl]phenol?
The canonical SMILES for 2-methoxy-6-[(2-morpholin-4-yl-1,3-benzothiazol-6-yl)iminomethyl]phenol is COc1cccc(/C=N/c2ccc3nc(N4CCOCC4)sc3c2)c1O.
What is the InChIKey of 2-methoxy-6-[(2-morpholin-4-yl-1,3-benzothiazol-6-yl)iminomethyl]phenol?
The InChIKey is BXTJSIIBJXGQFA-UDWIEESQSA-N. The full InChI is InChI=1S/C19H19N3O3S/c1-24-16-4-2-3-13(18(16)23)12-20-14-5-6-15-17(11-14)26-19(21-15)22-7-9-25-10-8-22/h2-6,11-12,23H,7-10H2,1H3/b20-12+.
What are the key properties of 2-methoxy-6-[(2-morpholin-4-yl-1,3-benzothiazol-6-yl)iminomethyl]phenol?
2-methoxy-6-[(2-morpholin-4-yl-1,3-benzothiazol-6-yl)iminomethyl]phenol has a molecular weight of 369.45 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-[(2-morpholin-4-yl-1,3-benzothiazol-6-yl)iminomethyl]phenol is sourced from PubChem (CID 135758653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).