6-(morpholin-3-ylmethyl)-1,3-benzothiazol-2-amine

C12H15N3OS — CID 116994141

IUPAC6-(morpholin-3-ylmethyl)-1,3-benzothiazol-2-amine
SMILESNc1nc2ccc(CC3COCCN3)cc2s1
InChIInChI=1S/C12H15N3OS/c13-12-15-10-2-1-8(6-11(10)17-12)5-9-7-16-4-3-14-9/h1-2,6,9,14H,3-5,7H2,(H2,13,15)
InChIKeyQWBLAYIOODFXQR-UHFFFAOYSA-N
MW249.34 g/mol
LogP1.41
Rot. Bonds2

About 6-(morpholin-3-ylmethyl)-1,3-benzothiazol-2-amine

6-(morpholin-3-ylmethyl)-1,3-benzothiazol-2-amine (PubChem CID 116994141) has the molecular formula C12H15N3OS and a molecular weight of 249.34 g/mol. Its IUPAC name is 6-(morpholin-3-ylmethyl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-(morpholin-3-ylmethyl)-1,3-benzothiazol-2-amine
PubChem CID116994141
Molecular FormulaC12H15N3OS
Molecular Weight249.34 g/mol
Exact Mass249.09
IUPAC Name6-(morpholin-3-ylmethyl)-1,3-benzothiazol-2-amine
SMILESNc1nc2ccc(CC3COCCN3)cc2s1
InChIInChI=1S/C12H15N3OS/c13-12-15-10-2-1-8(6-11(10)17-12)5-9-7-16-4-3-14-9/h1-2,6,9,14H,3-5,7H2,(H2,13,15)
InChIKeyQWBLAYIOODFXQR-UHFFFAOYSA-N
XLogP1.41
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(piperidin-3-ylmethyl)-1,3-benzothiazol-2-amine
CID 116994108
3-(3,4-dihydro-2H-thiochromen-6-ylmethyl)morpholine
CID 116927974
4-(morpholin-3-ylmethyl)pyrimidin-2-amine
CID 83847459
3-[(3-pyridin-2-ylphenyl)methyl]morpholine
CID 118936323
6-(2-methylpropyl)-1,3-benzothiazol-2-amine
CID 20771989
6-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-benzothiazol-2-amine
CID 104959176
6-(benzenesulfonylmethyl)-1,3-benzothiazol-2-amine
CID 20983952
6-[2-(ethylamino)ethyl]-1,3-benzothiazol-2-amine
CID 116999742
6-(ethylaminomethyl)-1,3-benzothiazol-2-amine
CID 65348658
6-(2-ethylbutyl)-1,3-benzothiazol-2-amine
CID 118873963
3-(naphthalen-1-ylmethyl)morpholine
CID 66932689
6-[[(5-ethylthiophen-2-yl)methylamino]methyl]-1,3-benzothiazol-2-amine
CID 106012038

Frequently Asked Questions

What is the IUPAC name of 6-(morpholin-3-ylmethyl)-1,3-benzothiazol-2-amine?
The IUPAC name of 6-(morpholin-3-ylmethyl)-1,3-benzothiazol-2-amine (CID 116994141) is 6-(morpholin-3-ylmethyl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-(morpholin-3-ylmethyl)-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-(morpholin-3-ylmethyl)-1,3-benzothiazol-2-amine is Nc1nc2ccc(CC3COCCN3)cc2s1.
What is the InChIKey of 6-(morpholin-3-ylmethyl)-1,3-benzothiazol-2-amine?
The InChIKey is QWBLAYIOODFXQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS/c13-12-15-10-2-1-8(6-11(10)17-12)5-9-7-16-4-3-14-9/h1-2,6,9,14H,3-5,7H2,(H2,13,15).
What are the key properties of 6-(morpholin-3-ylmethyl)-1,3-benzothiazol-2-amine?
6-(morpholin-3-ylmethyl)-1,3-benzothiazol-2-amine has a molecular weight of 249.34 g/mol, XLogP of 1.41, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(morpholin-3-ylmethyl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 116994141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).