2-(3-methylmorpholin-4-yl)-5,6-dihydro-4H-1,3-benzothiazol-7-one

C12H16N2O2S — CID 55113659

IUPAC2-(3-methylmorpholin-4-yl)-5,6-dihydro-4H-1,3-benzothiazol-7-one
SMILESCC1COCCN1c1nc2c(s1)C(=O)CCC2
InChIInChI=1S/C12H16N2O2S/c1-8-7-16-6-5-14(8)12-13-9-3-2-4-10(15)11(9)17-12/h8H,2-7H2,1H3
InChIKeyGMCSIPYKHKROKH-UHFFFAOYSA-N
MW252.34 g/mol
LogP1.89
Rot. Bonds1

About 2-(3-methylmorpholin-4-yl)-5,6-dihydro-4H-1,3-benzothiazol-7-one

2-(3-methylmorpholin-4-yl)-5,6-dihydro-4H-1,3-benzothiazol-7-one (PubChem CID 55113659) has the molecular formula C12H16N2O2S and a molecular weight of 252.34 g/mol. Its IUPAC name is 2-(3-methylmorpholin-4-yl)-5,6-dihydro-4H-1,3-benzothiazol-7-one.

Molecular Properties

Compound Name2-(3-methylmorpholin-4-yl)-5,6-dihydro-4H-1,3-benzothiazol-7-one
PubChem CID55113659
Molecular FormulaC12H16N2O2S
Molecular Weight252.34 g/mol
Exact Mass252.09
IUPAC Name2-(3-methylmorpholin-4-yl)-5,6-dihydro-4H-1,3-benzothiazol-7-one
SMILESCC1COCCN1c1nc2c(s1)C(=O)CCC2
InChIInChI=1S/C12H16N2O2S/c1-8-7-16-6-5-14(8)12-13-9-3-2-4-10(15)11(9)17-12/h8H,2-7H2,1H3
InChIKeyGMCSIPYKHKROKH-UHFFFAOYSA-N
XLogP1.89
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methylpyrrolidin-1-yl)-5,6-dihydro-4H-1,3-benzothiazol-7-one
CID 62756549
2-(azepan-1-yl)-5,6-dihydro-4H-1,3-benzothiazol-7-one
CID 62757088
2-(2-azabicyclo[2.2.1]heptan-2-yl)-5,6-dihydro-4H-1,3-benzothiazol-7-one
CID 55113662
2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-5,6-dihydro-4H-1,3-benzothiazol-7-one
CID 62888058
3-methyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholine
CID 130685662
2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-5,6-dihydro-4H-1,3-benzothiazol-7-one
CID 63190945
4-(methoxymethyl)-2-(3-methylmorpholin-4-yl)-1,3-thiazole-5-carbaldehyde
CID 107508974
5-methyl-2-morpholin-4-yl-5,6-dihydro-4H-1,3-benzothiazol-7-one
CID 11998448
N-methyl-1-[4-methyl-2-(3-methylmorpholin-4-yl)-1,3-thiazol-5-yl]ethanamine
CID 55111916
2-(3-methylmorpholin-4-yl)-4-phenyl-1,3-thiazole-5-carbaldehyde
CID 62765068
(3R)-3-methyl-4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)morpholine
CID 97094875
(3R)-3-methyl-4-[4-methyl-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]morpholine
CID 155439964

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylmorpholin-4-yl)-5,6-dihydro-4H-1,3-benzothiazol-7-one?
The IUPAC name of 2-(3-methylmorpholin-4-yl)-5,6-dihydro-4H-1,3-benzothiazol-7-one (CID 55113659) is 2-(3-methylmorpholin-4-yl)-5,6-dihydro-4H-1,3-benzothiazol-7-one.
What is the SMILES notation for 2-(3-methylmorpholin-4-yl)-5,6-dihydro-4H-1,3-benzothiazol-7-one?
The canonical SMILES for 2-(3-methylmorpholin-4-yl)-5,6-dihydro-4H-1,3-benzothiazol-7-one is CC1COCCN1c1nc2c(s1)C(=O)CCC2.
What is the InChIKey of 2-(3-methylmorpholin-4-yl)-5,6-dihydro-4H-1,3-benzothiazol-7-one?
The InChIKey is GMCSIPYKHKROKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2S/c1-8-7-16-6-5-14(8)12-13-9-3-2-4-10(15)11(9)17-12/h8H,2-7H2,1H3.
What are the key properties of 2-(3-methylmorpholin-4-yl)-5,6-dihydro-4H-1,3-benzothiazol-7-one?
2-(3-methylmorpholin-4-yl)-5,6-dihydro-4H-1,3-benzothiazol-7-one has a molecular weight of 252.34 g/mol, XLogP of 1.89, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylmorpholin-4-yl)-5,6-dihydro-4H-1,3-benzothiazol-7-one is sourced from PubChem (CID 55113659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).