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

C11H13N3OS — CID 175499040

IUPAC6-(1,3-benzothiazol-2-yl)morpholin-2-amine
SMILESNC1CNCC(c2nc3ccccc3s2)O1
InChIInChI=1S/C11H13N3OS/c12-10-6-13-5-8(15-10)11-14-7-3-1-2-4-9(7)16-11/h1-4,8,10,13H,5-6,12H2
InChIKeyMNZIUQMWQPCBEU-UHFFFAOYSA-N
MW235.31 g/mol
LogP1.24
Rot. Bonds1

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

6-(1,3-benzothiazol-2-yl)morpholin-2-amine (PubChem CID 175499040) has the molecular formula C11H13N3OS and a molecular weight of 235.31 g/mol. Its IUPAC name is 6-(1,3-benzothiazol-2-yl)morpholin-2-amine.

Molecular Properties

Compound Name6-(1,3-benzothiazol-2-yl)morpholin-2-amine
PubChem CID175499040
Molecular FormulaC11H13N3OS
Molecular Weight235.31 g/mol
Exact Mass235.08
IUPAC Name6-(1,3-benzothiazol-2-yl)morpholin-2-amine
SMILESNC1CNCC(c2nc3ccccc3s2)O1
InChIInChI=1S/C11H13N3OS/c12-10-6-13-5-8(15-10)11-14-7-3-1-2-4-9(7)16-11/h1-4,8,10,13H,5-6,12H2
InChIKeyMNZIUQMWQPCBEU-UHFFFAOYSA-N
XLogP1.24
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1,3-benzothiazol-2-yl)cyclobutan-1-amine
CID 116999894
2-(3-methyloxiran-2-yl)-1,3-benzothiazole
CID 72744188
2-[(3S)-piperidin-3-yl]-1,3-benzothiazole
CID 2121164
2-(2,3-dihydro-1H-indol-2-yl)-1,3-benzothiazole
CID 43196878
2-[(2R,3S)-3-phenyloxiran-2-yl]-1,3-benzothiazole
CID 15442374
(3R)-3-(1,3-benzothiazol-2-yl)morpholine
CID 96788923
2-(1,3-benzothiazol-2-yl)-5-propan-2-yl-1,4-oxazepane
CID 106352727
5-(1,3-benzothiazol-2-yl)-2-methyl-1,4-thiazinane 1-oxide
CID 66244127
4-(1,3-benzothiazol-2-yl)-5-sulfanylideneoxolan-2-one
CID 86741818
N-(azetidin-3-yl)-N-ethyl-1,3-benzothiazol-2-amine
CID 66182631
2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-1,3-benzothiazole
CID 60916528
4-(1,3-benzothiazol-2-yl)cyclohexan-1-one
CID 116999899

Frequently Asked Questions

What is the IUPAC name of 6-(1,3-benzothiazol-2-yl)morpholin-2-amine?
The IUPAC name of 6-(1,3-benzothiazol-2-yl)morpholin-2-amine (CID 175499040) is 6-(1,3-benzothiazol-2-yl)morpholin-2-amine.
What is the SMILES notation for 6-(1,3-benzothiazol-2-yl)morpholin-2-amine?
The canonical SMILES for 6-(1,3-benzothiazol-2-yl)morpholin-2-amine is NC1CNCC(c2nc3ccccc3s2)O1.
What is the InChIKey of 6-(1,3-benzothiazol-2-yl)morpholin-2-amine?
The InChIKey is MNZIUQMWQPCBEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3OS/c12-10-6-13-5-8(15-10)11-14-7-3-1-2-4-9(7)16-11/h1-4,8,10,13H,5-6,12H2.
What are the key properties of 6-(1,3-benzothiazol-2-yl)morpholin-2-amine?
6-(1,3-benzothiazol-2-yl)morpholin-2-amine has a molecular weight of 235.31 g/mol, XLogP of 1.24, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-benzothiazol-2-yl)morpholin-2-amine is sourced from PubChem (CID 175499040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).