8,9-dimethoxy-3,3-dimethyl-3a,9-dihydro-2H-imidazo[5,1-b][1,3]benzothiazin-1-one

C14H18N2O3S — CID 101378005

IUPAC8,9-dimethoxy-3,3-dimethyl-3a,9-dihydro-2H-imidazo[5,1-b][1,3]benzothiazin-1-one
SMILESCOc1cccc2c1C(OC)N1C(=O)NC(C)(C)C1S2
InChIInChI=1S/C14H18N2O3S/c1-14(2)12-16(13(17)15-14)11(19-4)10-8(18-3)6-5-7-9(10)20-12/h5-7,11-12H,1-4H3,(H,15,17)
InChIKeyBOTNBPCDJOSRCL-UHFFFAOYSA-N
MW294.38 g/mol
LogP2.58
Rot. Bonds2

About 8,9-dimethoxy-3,3-dimethyl-3a,9-dihydro-2H-imidazo[5,1-b][1,3]benzothiazin-1-one

8,9-dimethoxy-3,3-dimethyl-3a,9-dihydro-2H-imidazo[5,1-b][1,3]benzothiazin-1-one (PubChem CID 101378005) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is 8,9-dimethoxy-3,3-dimethyl-3a,9-dihydro-2H-imidazo[5,1-b][1,3]benzothiazin-1-one.

Molecular Properties

Compound Name8,9-dimethoxy-3,3-dimethyl-3a,9-dihydro-2H-imidazo[5,1-b][1,3]benzothiazin-1-one
PubChem CID101378005
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC Name8,9-dimethoxy-3,3-dimethyl-3a,9-dihydro-2H-imidazo[5,1-b][1,3]benzothiazin-1-one
SMILESCOc1cccc2c1C(OC)N1C(=O)NC(C)(C)C1S2
InChIInChI=1S/C14H18N2O3S/c1-14(2)12-16(13(17)15-14)11(19-4)10-8(18-3)6-5-7-9(10)20-12/h5-7,11-12H,1-4H3,(H,15,17)
InChIKeyBOTNBPCDJOSRCL-UHFFFAOYSA-N
XLogP2.58
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8,9-dimethoxy-3,3-dimethyl-3a,9-dihydro-2H-imidazo[5,1-b][1,3]benzothiazin-1-one?
The IUPAC name of 8,9-dimethoxy-3,3-dimethyl-3a,9-dihydro-2H-imidazo[5,1-b][1,3]benzothiazin-1-one (CID 101378005) is 8,9-dimethoxy-3,3-dimethyl-3a,9-dihydro-2H-imidazo[5,1-b][1,3]benzothiazin-1-one.
What is the SMILES notation for 8,9-dimethoxy-3,3-dimethyl-3a,9-dihydro-2H-imidazo[5,1-b][1,3]benzothiazin-1-one?
The canonical SMILES for 8,9-dimethoxy-3,3-dimethyl-3a,9-dihydro-2H-imidazo[5,1-b][1,3]benzothiazin-1-one is COc1cccc2c1C(OC)N1C(=O)NC(C)(C)C1S2.
What is the InChIKey of 8,9-dimethoxy-3,3-dimethyl-3a,9-dihydro-2H-imidazo[5,1-b][1,3]benzothiazin-1-one?
The InChIKey is BOTNBPCDJOSRCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S/c1-14(2)12-16(13(17)15-14)11(19-4)10-8(18-3)6-5-7-9(10)20-12/h5-7,11-12H,1-4H3,(H,15,17).
What are the key properties of 8,9-dimethoxy-3,3-dimethyl-3a,9-dihydro-2H-imidazo[5,1-b][1,3]benzothiazin-1-one?
8,9-dimethoxy-3,3-dimethyl-3a,9-dihydro-2H-imidazo[5,1-b][1,3]benzothiazin-1-one has a molecular weight of 294.38 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8,9-dimethoxy-3,3-dimethyl-3a,9-dihydro-2H-imidazo[5,1-b][1,3]benzothiazin-1-one is sourced from PubChem (CID 101378005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).