N-(2-methoxy-5-methylphenyl)-5-morpholin-4-yl-1,3-benzothiazol-2-amine

C19H21N3O2S — CID 89255837

IUPACN-(2-methoxy-5-methylphenyl)-5-morpholin-4-yl-1,3-benzothiazol-2-amine
SMILESCOc1ccc(C)cc1Nc1nc2cc(N3CCOCC3)ccc2s1
InChIInChI=1S/C19H21N3O2S/c1-13-3-5-17(23-2)15(11-13)20-19-21-16-12-14(4-6-18(16)25-19)22-7-9-24-10-8-22/h3-6,11-12H,7-10H2,1-2H3,(H,20,21)
InChIKeyGYLWGEWSCADGEF-UHFFFAOYSA-N
MW355.46 g/mol
LogP4.19
Rot. Bonds4

About N-(2-methoxy-5-methylphenyl)-5-morpholin-4-yl-1,3-benzothiazol-2-amine

N-(2-methoxy-5-methylphenyl)-5-morpholin-4-yl-1,3-benzothiazol-2-amine (PubChem CID 89255837) has the molecular formula C19H21N3O2S and a molecular weight of 355.46 g/mol. Its IUPAC name is N-(2-methoxy-5-methylphenyl)-5-morpholin-4-yl-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-(2-methoxy-5-methylphenyl)-5-morpholin-4-yl-1,3-benzothiazol-2-amine
PubChem CID89255837
Molecular FormulaC19H21N3O2S
Molecular Weight355.46 g/mol
Exact Mass355.14
IUPAC NameN-(2-methoxy-5-methylphenyl)-5-morpholin-4-yl-1,3-benzothiazol-2-amine
SMILESCOc1ccc(C)cc1Nc1nc2cc(N3CCOCC3)ccc2s1
InChIInChI=1S/C19H21N3O2S/c1-13-3-5-17(23-2)15(11-13)20-19-21-16-12-14(4-6-18(16)25-19)22-7-9-24-10-8-22/h3-6,11-12H,7-10H2,1-2H3,(H,20,21)
InChIKeyGYLWGEWSCADGEF-UHFFFAOYSA-N
XLogP4.19
TPSA46.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-methylphenyl)-5-morpholin-4-yl-1,3-benzothiazol-2-amine?
The IUPAC name of N-(2-methoxy-5-methylphenyl)-5-morpholin-4-yl-1,3-benzothiazol-2-amine (CID 89255837) is N-(2-methoxy-5-methylphenyl)-5-morpholin-4-yl-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-(2-methoxy-5-methylphenyl)-5-morpholin-4-yl-1,3-benzothiazol-2-amine?
The canonical SMILES for N-(2-methoxy-5-methylphenyl)-5-morpholin-4-yl-1,3-benzothiazol-2-amine is COc1ccc(C)cc1Nc1nc2cc(N3CCOCC3)ccc2s1.
What is the InChIKey of N-(2-methoxy-5-methylphenyl)-5-morpholin-4-yl-1,3-benzothiazol-2-amine?
The InChIKey is GYLWGEWSCADGEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S/c1-13-3-5-17(23-2)15(11-13)20-19-21-16-12-14(4-6-18(16)25-19)22-7-9-24-10-8-22/h3-6,11-12H,7-10H2,1-2H3,(H,20,21).
What are the key properties of N-(2-methoxy-5-methylphenyl)-5-morpholin-4-yl-1,3-benzothiazol-2-amine?
N-(2-methoxy-5-methylphenyl)-5-morpholin-4-yl-1,3-benzothiazol-2-amine has a molecular weight of 355.46 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-methylphenyl)-5-morpholin-4-yl-1,3-benzothiazol-2-amine is sourced from PubChem (CID 89255837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).