2-(1,2-benzothiazol-3-yl)-1-(2,6-dimethyl-1-oxo-1,4-thiazinan-4-yl)ethanone

C15H18N2O2S2 — CID 128890766

IUPAC2-(1,2-benzothiazol-3-yl)-1-(2,6-dimethyl-1-oxo-1,4-thiazinan-4-yl)ethanone
SMILESCC1CN(C(=O)Cc2nsc3ccccc23)CC(C)S1=O
InChIInChI=1S/C15H18N2O2S2/c1-10-8-17(9-11(2)21(10)19)15(18)7-13-12-5-3-4-6-14(12)20-16-13/h3-6,10-11H,7-9H2,1-2H3
InChIKeyJBBIMRZQWVUHBO-UHFFFAOYSA-N
MW322.46 g/mol
LogP2.21
Rot. Bonds2

About 2-(1,2-benzothiazol-3-yl)-1-(2,6-dimethyl-1-oxo-1,4-thiazinan-4-yl)ethanone

2-(1,2-benzothiazol-3-yl)-1-(2,6-dimethyl-1-oxo-1,4-thiazinan-4-yl)ethanone (PubChem CID 128890766) has the molecular formula C15H18N2O2S2 and a molecular weight of 322.46 g/mol. Its IUPAC name is 2-(1,2-benzothiazol-3-yl)-1-(2,6-dimethyl-1-oxo-1,4-thiazinan-4-yl)ethanone.

Molecular Properties

Compound Name2-(1,2-benzothiazol-3-yl)-1-(2,6-dimethyl-1-oxo-1,4-thiazinan-4-yl)ethanone
PubChem CID128890766
Molecular FormulaC15H18N2O2S2
Molecular Weight322.46 g/mol
Exact Mass322.08
IUPAC Name2-(1,2-benzothiazol-3-yl)-1-(2,6-dimethyl-1-oxo-1,4-thiazinan-4-yl)ethanone
SMILESCC1CN(C(=O)Cc2nsc3ccccc23)CC(C)S1=O
InChIInChI=1S/C15H18N2O2S2/c1-10-8-17(9-11(2)21(10)19)15(18)7-13-12-5-3-4-6-14(12)20-16-13/h3-6,10-11H,7-9H2,1-2H3
InChIKeyJBBIMRZQWVUHBO-UHFFFAOYSA-N
XLogP2.21
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.46
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(1,2-benzothiazol-3-yl)-1-(2,6-dimethyl-1-oxo-1,4-thiazinan-4-yl)ethanone with MolForge

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Related Compounds

2-(1,2-benzothiazol-3-yl)-1-[3-(dimethylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 154762437
2-(1,2-benzothiazol-3-yl)-N-methylacetamide
CID 821850
2-(1,2-benzothiazol-3-yl)-N-[4-(2,5-dioxopyrrolidin-1-yl)cyclohexyl]acetamide
CID 167954868
2-(1,2-benzothiazol-3-yl)-1-[4-(3-methoxy-4-pyridinyl)piperazin-1-yl]ethanone
CID 136548797
2-(1,2-benzothiazol-3-yl)-1-(3-cyclobutyl-1,1-dioxo-1,4-thiazinan-4-yl)ethanone
CID 128891494
4-(1,2-benzothiazol-3-yl)butanoic acid
CID 22012272
3-[[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-1,2-benzothiazole
CID 66932448
4-(1,2-benzothiazol-3-yl)butan-1-ol
CID 22012183
2-(1,2-benzothiazol-3-yl)ethanamine;hydrochloride
CID 10375968
N-[2-(1,2-benzothiazol-3-yl)ethyl]-2-(4-methylpiperazin-1-yl)benzamide
CID 167821763
2-(1,2-benzoxazol-3-yl)-1-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]ethanone
CID 79410823
3-(piperazin-1-ylmethyl)-1,2-benzothiazole
CID 96811032

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-benzothiazol-3-yl)-1-(2,6-dimethyl-1-oxo-1,4-thiazinan-4-yl)ethanone?
The IUPAC name of 2-(1,2-benzothiazol-3-yl)-1-(2,6-dimethyl-1-oxo-1,4-thiazinan-4-yl)ethanone (CID 128890766) is 2-(1,2-benzothiazol-3-yl)-1-(2,6-dimethyl-1-oxo-1,4-thiazinan-4-yl)ethanone.
What is the SMILES notation for 2-(1,2-benzothiazol-3-yl)-1-(2,6-dimethyl-1-oxo-1,4-thiazinan-4-yl)ethanone?
The canonical SMILES for 2-(1,2-benzothiazol-3-yl)-1-(2,6-dimethyl-1-oxo-1,4-thiazinan-4-yl)ethanone is CC1CN(C(=O)Cc2nsc3ccccc23)CC(C)S1=O.
What is the InChIKey of 2-(1,2-benzothiazol-3-yl)-1-(2,6-dimethyl-1-oxo-1,4-thiazinan-4-yl)ethanone?
The InChIKey is JBBIMRZQWVUHBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S2/c1-10-8-17(9-11(2)21(10)19)15(18)7-13-12-5-3-4-6-14(12)20-16-13/h3-6,10-11H,7-9H2,1-2H3.
What are the key properties of 2-(1,2-benzothiazol-3-yl)-1-(2,6-dimethyl-1-oxo-1,4-thiazinan-4-yl)ethanone?
2-(1,2-benzothiazol-3-yl)-1-(2,6-dimethyl-1-oxo-1,4-thiazinan-4-yl)ethanone has a molecular weight of 322.46 g/mol, XLogP of 2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-benzothiazol-3-yl)-1-(2,6-dimethyl-1-oxo-1,4-thiazinan-4-yl)ethanone is sourced from PubChem (CID 128890766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).