[1-(4-methyl-1,3-benzothiazol-2-yl)azetidin-3-yl]-morpholin-4-ylmethanone

C16H19N3O2S — CID 163354169

IUPAC[1-(4-methyl-1,3-benzothiazol-2-yl)azetidin-3-yl]-morpholin-4-ylmethanone
SMILESCc1cccc2sc(N3CC(C(=O)N4CCOCC4)C3)nc12
InChIInChI=1S/C16H19N3O2S/c1-11-3-2-4-13-14(11)17-16(22-13)19-9-12(10-19)15(20)18-5-7-21-8-6-18/h2-4,12H,5-10H2,1H3
InChIKeyWBEGBLWQNNXYLY-UHFFFAOYSA-N
MW317.41 g/mol
LogP1.90
Rot. Bonds2

About [1-(4-methyl-1,3-benzothiazol-2-yl)azetidin-3-yl]-morpholin-4-ylmethanone

[1-(4-methyl-1,3-benzothiazol-2-yl)azetidin-3-yl]-morpholin-4-ylmethanone (PubChem CID 163354169) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is [1-(4-methyl-1,3-benzothiazol-2-yl)azetidin-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-(4-methyl-1,3-benzothiazol-2-yl)azetidin-3-yl]-morpholin-4-ylmethanone
PubChem CID163354169
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC Name[1-(4-methyl-1,3-benzothiazol-2-yl)azetidin-3-yl]-morpholin-4-ylmethanone
SMILESCc1cccc2sc(N3CC(C(=O)N4CCOCC4)C3)nc12
InChIInChI=1S/C16H19N3O2S/c1-11-3-2-4-13-14(11)17-16(22-13)19-9-12(10-19)15(20)18-5-7-21-8-6-18/h2-4,12H,5-10H2,1H3
InChIKeyWBEGBLWQNNXYLY-UHFFFAOYSA-N
XLogP1.90
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(4-methylsulfonyl-1,3-benzothiazol-2-yl)azetidin-3-yl]-morpholin-4-ylmethanone
CID 163354836
ethane;4-(4-methyl-1,3-benzothiazol-2-yl)morpholine
CID 167513068
(4,4-difluoropiperidin-1-yl)-[1-(4-methyl-1,3-benzothiazol-2-yl)pyrrolidin-3-yl]methanone
CID 165433200
[1-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)pyrrolidin-3-yl]-morpholin-4-ylmethanone
CID 165435628
[1-(4-ethoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-morpholin-4-ylmethanone
CID 165435619
[4-(4,5-dimethyl-1,3-benzothiazol-2-yl)morpholin-2-yl]-morpholin-4-ylmethanone
CID 155981539
1-[1-(4-fluoro-1,3-benzothiazol-2-yl)azetidine-3-carbonyl]piperidine-4-carboxamide
CID 90604387
[1-(6-methyl-1,3-benzothiazol-2-yl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 90611663
[1-(4-methoxy-1,3-benzothiazol-2-yl)azetidin-3-yl]-(3-methylpiperidin-1-yl)methanone
CID 121127853
[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-[4-(4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone
CID 7539271
(2,6-dimethylmorpholin-4-yl)-[1-(4-methoxy-1,3-benzothiazol-2-yl)azetidin-3-yl]methanone
CID 121127864
2-methyl-1-[4-(4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]propan-1-one
CID 7539254

Frequently Asked Questions

What is the IUPAC name of [1-(4-methyl-1,3-benzothiazol-2-yl)azetidin-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-(4-methyl-1,3-benzothiazol-2-yl)azetidin-3-yl]-morpholin-4-ylmethanone (CID 163354169) is [1-(4-methyl-1,3-benzothiazol-2-yl)azetidin-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-(4-methyl-1,3-benzothiazol-2-yl)azetidin-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-(4-methyl-1,3-benzothiazol-2-yl)azetidin-3-yl]-morpholin-4-ylmethanone is Cc1cccc2sc(N3CC(C(=O)N4CCOCC4)C3)nc12.
What is the InChIKey of [1-(4-methyl-1,3-benzothiazol-2-yl)azetidin-3-yl]-morpholin-4-ylmethanone?
The InChIKey is WBEGBLWQNNXYLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S/c1-11-3-2-4-13-14(11)17-16(22-13)19-9-12(10-19)15(20)18-5-7-21-8-6-18/h2-4,12H,5-10H2,1H3.
What are the key properties of [1-(4-methyl-1,3-benzothiazol-2-yl)azetidin-3-yl]-morpholin-4-ylmethanone?
[1-(4-methyl-1,3-benzothiazol-2-yl)azetidin-3-yl]-morpholin-4-ylmethanone has a molecular weight of 317.41 g/mol, XLogP of 1.90, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methyl-1,3-benzothiazol-2-yl)azetidin-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 163354169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).