(3R)-3-(1,3-benzothiazol-2-yl)morpholine

C11H12N2OS — CID 96788923

IUPAC(3R)-3-(1,3-benzothiazol-2-yl)morpholine
SMILESc1ccc2sc([C@H]3COCCN3)nc2c1
InChIInChI=1S/C11H12N2OS/c1-2-4-10-8(3-1)13-11(15-10)9-7-14-6-5-12-9/h1-4,9,12H,5-7H2/t9-/m1/s1
InChIKeyHTRYLKRMWMMOGW-SECBINFHSA-N
MW220.30 g/mol
LogP1.96
Rot. Bonds1

About (3R)-3-(1,3-benzothiazol-2-yl)morpholine

(3R)-3-(1,3-benzothiazol-2-yl)morpholine (PubChem CID 96788923) has the molecular formula C11H12N2OS and a molecular weight of 220.30 g/mol. Its IUPAC name is (3R)-3-(1,3-benzothiazol-2-yl)morpholine.

Molecular Properties

Compound Name(3R)-3-(1,3-benzothiazol-2-yl)morpholine
PubChem CID96788923
Molecular FormulaC11H12N2OS
Molecular Weight220.30 g/mol
Exact Mass220.07
IUPAC Name(3R)-3-(1,3-benzothiazol-2-yl)morpholine
SMILESc1ccc2sc([C@H]3COCCN3)nc2c1
InChIInChI=1S/C11H12N2OS/c1-2-4-10-8(3-1)13-11(15-10)9-7-14-6-5-12-9/h1-4,9,12H,5-7H2/t9-/m1/s1
InChIKeyHTRYLKRMWMMOGW-SECBINFHSA-N
XLogP1.96
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-fluoro-1,3-benzothiazol-2-yl)morpholine
CID 82621536
3-(5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),3,10,12-pentaen-4-yl)morpholine
CID 102748312
2-(3-methyloxiran-2-yl)-1,3-benzothiazole
CID 72744188
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
3-(1,2-oxazol-3-yl)morpholine
CID 82595372
4,6-dimethyl-2-morpholin-3-yl-6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazole
CID 102748306
3-(5-bromo-1,3-thiazol-2-yl)morpholine
CID 83693202
3-(6-fluoro-2-pyridinyl)morpholine
CID 55282502
3-[4-(5-fluoro-2-pyridinyl)-5-methyl-1,3-thiazol-2-yl]morpholine
CID 102748349
5-(1,3-benzothiazol-2-yl)-2-methyl-1,4-thiazinane 1-oxide
CID 66244127
6-(1,3-benzothiazol-2-yl)morpholin-2-amine
CID 175499040

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(1,3-benzothiazol-2-yl)morpholine?
The IUPAC name of (3R)-3-(1,3-benzothiazol-2-yl)morpholine (CID 96788923) is (3R)-3-(1,3-benzothiazol-2-yl)morpholine.
What is the SMILES notation for (3R)-3-(1,3-benzothiazol-2-yl)morpholine?
The canonical SMILES for (3R)-3-(1,3-benzothiazol-2-yl)morpholine is c1ccc2sc([C@H]3COCCN3)nc2c1.
What is the InChIKey of (3R)-3-(1,3-benzothiazol-2-yl)morpholine?
The InChIKey is HTRYLKRMWMMOGW-SECBINFHSA-N. The full InChI is InChI=1S/C11H12N2OS/c1-2-4-10-8(3-1)13-11(15-10)9-7-14-6-5-12-9/h1-4,9,12H,5-7H2/t9-/m1/s1.
What are the key properties of (3R)-3-(1,3-benzothiazol-2-yl)morpholine?
(3R)-3-(1,3-benzothiazol-2-yl)morpholine has a molecular weight of 220.30 g/mol, XLogP of 1.96, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(1,3-benzothiazol-2-yl)morpholine is sourced from PubChem (CID 96788923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).