3-morpholin-4-yl-2H-1,3-benzothiazol-6-amine

C11H15N3OS — CID 154429031

IUPAC3-morpholin-4-yl-2H-1,3-benzothiazol-6-amine
SMILESNc1ccc2c(c1)SCN2N1CCOCC1
InChIInChI=1S/C11H15N3OS/c12-9-1-2-10-11(7-9)16-8-14(10)13-3-5-15-6-4-13/h1-2,7H,3-6,8,12H2
InChIKeyQDSPFJJDTUWRCI-UHFFFAOYSA-N
MW237.33 g/mol
LogP1.39
Rot. Bonds1

About 3-morpholin-4-yl-2H-1,3-benzothiazol-6-amine

3-morpholin-4-yl-2H-1,3-benzothiazol-6-amine (PubChem CID 154429031) has the molecular formula C11H15N3OS and a molecular weight of 237.33 g/mol. Its IUPAC name is 3-morpholin-4-yl-2H-1,3-benzothiazol-6-amine.

Molecular Properties

Compound Name3-morpholin-4-yl-2H-1,3-benzothiazol-6-amine
PubChem CID154429031
Molecular FormulaC11H15N3OS
Molecular Weight237.33 g/mol
Exact Mass237.09
IUPAC Name3-morpholin-4-yl-2H-1,3-benzothiazol-6-amine
SMILESNc1ccc2c(c1)SCN2N1CCOCC1
InChIInChI=1S/C11H15N3OS/c12-9-1-2-10-11(7-9)16-8-14(10)13-3-5-15-6-4-13/h1-2,7H,3-6,8,12H2
InChIKeyQDSPFJJDTUWRCI-UHFFFAOYSA-N
XLogP1.39
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-4-morpholin-4-ylaniline
CID 10607787
4-morpholin-4-ylsulfonyl-2,3-dihydro-1,4-benzothiazin-6-amine
CID 61036898
CID 158409695
CID 158409695
3-(difluoromethoxy)-4-morpholin-4-ylaniline
CID 90104676
7-amino-4-but-3-enyl-1,4-benzothiazin-3-one
CID 84615615
3-(2-tert-butylsilyloxypropan-2-yl)-4-morpholin-4-ylaniline
CID 137328668
1-(4-amino-2-morpholin-4-ylphenyl)ethanone
CID 134460637
7-amino-4-(4-fluorophenyl)-1,4-benzothiazin-3-one
CID 66790832
7-amino-4-cyclohexyl-1,4-benzothiazin-3-one
CID 84615614
7-amino-4-[2-(diethylamino)ethyl]-1,4-benzothiazin-3-one
CID 84615606
1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-6-amine;dihydrochloride
CID 142626465
3-methyl-4-[(3S)-3-methylmorpholin-4-yl]aniline
CID 93111224

Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-yl-2H-1,3-benzothiazol-6-amine?
The IUPAC name of 3-morpholin-4-yl-2H-1,3-benzothiazol-6-amine (CID 154429031) is 3-morpholin-4-yl-2H-1,3-benzothiazol-6-amine.
What is the SMILES notation for 3-morpholin-4-yl-2H-1,3-benzothiazol-6-amine?
The canonical SMILES for 3-morpholin-4-yl-2H-1,3-benzothiazol-6-amine is Nc1ccc2c(c1)SCN2N1CCOCC1.
What is the InChIKey of 3-morpholin-4-yl-2H-1,3-benzothiazol-6-amine?
The InChIKey is QDSPFJJDTUWRCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3OS/c12-9-1-2-10-11(7-9)16-8-14(10)13-3-5-15-6-4-13/h1-2,7H,3-6,8,12H2.
What are the key properties of 3-morpholin-4-yl-2H-1,3-benzothiazol-6-amine?
3-morpholin-4-yl-2H-1,3-benzothiazol-6-amine has a molecular weight of 237.33 g/mol, XLogP of 1.39, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-yl-2H-1,3-benzothiazol-6-amine is sourced from PubChem (CID 154429031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).