2-(1-oxo-4-phenyl-3a,4-dihydro-3H-imidazo[5,1-c][1,4]benzothiazin-2-yl)acetamide

C18H17N3O2S — CID 22752575

IUPAC2-(1-oxo-4-phenyl-3a,4-dihydro-3H-imidazo[5,1-c][1,4]benzothiazin-2-yl)acetamide
SMILESNC(=O)CN1CC2C(c3ccccc3)Sc3ccccc3N2C1=O
InChIInChI=1S/C18H17N3O2S/c19-16(22)11-20-10-14-17(12-6-2-1-3-7-12)24-15-9-5-4-8-13(15)21(14)18(20)23/h1-9,14,17H,10-11H2,(H2,19,22)
InChIKeyCLUVKBLOQOVHPS-UHFFFAOYSA-N
MW339.42 g/mol
LogP2.63
Rot. Bonds3

About 2-(1-oxo-4-phenyl-3a,4-dihydro-3H-imidazo[5,1-c][1,4]benzothiazin-2-yl)acetamide

2-(1-oxo-4-phenyl-3a,4-dihydro-3H-imidazo[5,1-c][1,4]benzothiazin-2-yl)acetamide (PubChem CID 22752575) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is 2-(1-oxo-4-phenyl-3a,4-dihydro-3H-imidazo[5,1-c][1,4]benzothiazin-2-yl)acetamide.

Molecular Properties

Compound Name2-(1-oxo-4-phenyl-3a,4-dihydro-3H-imidazo[5,1-c][1,4]benzothiazin-2-yl)acetamide
PubChem CID22752575
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC Name2-(1-oxo-4-phenyl-3a,4-dihydro-3H-imidazo[5,1-c][1,4]benzothiazin-2-yl)acetamide
SMILESNC(=O)CN1CC2C(c3ccccc3)Sc3ccccc3N2C1=O
InChIInChI=1S/C18H17N3O2S/c19-16(22)11-20-10-14-17(12-6-2-1-3-7-12)24-15-9-5-4-8-13(15)21(14)18(20)23/h1-9,14,17H,10-11H2,(H2,19,22)
InChIKeyCLUVKBLOQOVHPS-UHFFFAOYSA-N
XLogP2.63
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-oxo-4-phenyl-3a,4-dihydro-3H-imidazo[5,1-c][1,4]benzothiazin-2-yl)acetamide?
The IUPAC name of 2-(1-oxo-4-phenyl-3a,4-dihydro-3H-imidazo[5,1-c][1,4]benzothiazin-2-yl)acetamide (CID 22752575) is 2-(1-oxo-4-phenyl-3a,4-dihydro-3H-imidazo[5,1-c][1,4]benzothiazin-2-yl)acetamide.
What is the SMILES notation for 2-(1-oxo-4-phenyl-3a,4-dihydro-3H-imidazo[5,1-c][1,4]benzothiazin-2-yl)acetamide?
The canonical SMILES for 2-(1-oxo-4-phenyl-3a,4-dihydro-3H-imidazo[5,1-c][1,4]benzothiazin-2-yl)acetamide is NC(=O)CN1CC2C(c3ccccc3)Sc3ccccc3N2C1=O.
What is the InChIKey of 2-(1-oxo-4-phenyl-3a,4-dihydro-3H-imidazo[5,1-c][1,4]benzothiazin-2-yl)acetamide?
The InChIKey is CLUVKBLOQOVHPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S/c19-16(22)11-20-10-14-17(12-6-2-1-3-7-12)24-15-9-5-4-8-13(15)21(14)18(20)23/h1-9,14,17H,10-11H2,(H2,19,22).
What are the key properties of 2-(1-oxo-4-phenyl-3a,4-dihydro-3H-imidazo[5,1-c][1,4]benzothiazin-2-yl)acetamide?
2-(1-oxo-4-phenyl-3a,4-dihydro-3H-imidazo[5,1-c][1,4]benzothiazin-2-yl)acetamide has a molecular weight of 339.42 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-oxo-4-phenyl-3a,4-dihydro-3H-imidazo[5,1-c][1,4]benzothiazin-2-yl)acetamide is sourced from PubChem (CID 22752575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).