1,3-benzothiazol-6-yl-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone

C14H16N2O2S — CID 7096348

IUPAC1,3-benzothiazol-6-yl-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone
SMILESC[C@H]1CN(C(=O)c2ccc3ncsc3c2)C[C@H](C)O1
InChIInChI=1S/C14H16N2O2S/c1-9-6-16(7-10(2)18-9)14(17)11-3-4-12-13(5-11)19-8-15-12/h3-5,8-10H,6-7H2,1-2H3/t9-,10-/m0/s1
InChIKeyYYPLDUXKKTXMJX-UWVGGRQHSA-N
MW276.36 g/mol
LogP2.55
Rot. Bonds1

About 1,3-benzothiazol-6-yl-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone

1,3-benzothiazol-6-yl-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone (PubChem CID 7096348) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is 1,3-benzothiazol-6-yl-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name1,3-benzothiazol-6-yl-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone
PubChem CID7096348
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Name1,3-benzothiazol-6-yl-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone
SMILESC[C@H]1CN(C(=O)c2ccc3ncsc3c2)C[C@H](C)O1
InChIInChI=1S/C14H16N2O2S/c1-9-6-16(7-10(2)18-9)14(17)11-3-4-12-13(5-11)19-8-15-12/h3-5,8-10H,6-7H2,1-2H3/t9-,10-/m0/s1
InChIKeyYYPLDUXKKTXMJX-UWVGGRQHSA-N
XLogP2.55
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl(1,3-benzothiazol-6-yl)methanone
CID 121184075
1,3-benzothiazol-6-yl-[(3R,4R)-3-cyclobutyl-3-hydroxy-4-methylpyrrolidin-1-yl]methanone
CID 70762472
1,3-benzothiazol-6-yl-[4-(methylamino)piperidin-1-yl]methanone
CID 119562736
N-[2-(2,6-dimethylmorpholin-4-yl)propyl]-1,3-benzothiazole-6-carboxamide
CID 51114210
[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 618918
N'-[4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]-1,3-benzothiazole-6-carbohydrazide
CID 16813997
3-[[1-(1,3-benzothiazole-6-carbonyl)azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione
CID 121022585
4-[1-(1,3-benzothiazole-6-carbonyl)azetidin-3-yl]-1-methylpiperazin-2-one
CID 146024362
(3,4-dichlorophenyl)-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 7724523
(3,4-dichlorophenyl)-(2,6-dimethylmorpholin-4-yl)methanone
CID 3339174
(3,4-dichlorophenyl)-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 7722716
methyl 1-(1,3-benzothiazole-6-carbonyl)piperidine-4-carboxylate
CID 43404805

Frequently Asked Questions

What is the IUPAC name of 1,3-benzothiazol-6-yl-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone?
The IUPAC name of 1,3-benzothiazol-6-yl-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone (CID 7096348) is 1,3-benzothiazol-6-yl-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone.
What is the SMILES notation for 1,3-benzothiazol-6-yl-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone?
The canonical SMILES for 1,3-benzothiazol-6-yl-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone is C[C@H]1CN(C(=O)c2ccc3ncsc3c2)C[C@H](C)O1.
What is the InChIKey of 1,3-benzothiazol-6-yl-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone?
The InChIKey is YYPLDUXKKTXMJX-UWVGGRQHSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-9-6-16(7-10(2)18-9)14(17)11-3-4-12-13(5-11)19-8-15-12/h3-5,8-10H,6-7H2,1-2H3/t9-,10-/m0/s1.
What are the key properties of 1,3-benzothiazol-6-yl-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone?
1,3-benzothiazol-6-yl-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone has a molecular weight of 276.36 g/mol, XLogP of 2.55, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzothiazol-6-yl-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone is sourced from PubChem (CID 7096348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).