1-(3-oxo-4H-1,4-benzothiazin-6-yl)-3-phenylurea

C15H13N3O2S — CID 31772262

IUPAC1-(3-oxo-4H-1,4-benzothiazin-6-yl)-3-phenylurea
SMILESO=C1CSc2ccc(NC(=O)Nc3ccccc3)cc2N1
InChIInChI=1S/C15H13N3O2S/c19-14-9-21-13-7-6-11(8-12(13)18-14)17-15(20)16-10-4-2-1-3-5-10/h1-8H,9H2,(H,18,19)(H2,16,17,20)
InChIKeyGHSFHPHGHJJZBF-UHFFFAOYSA-N
MW299.36 g/mol
LogP3.37
Rot. Bonds2

About 1-(3-oxo-4H-1,4-benzothiazin-6-yl)-3-phenylurea

1-(3-oxo-4H-1,4-benzothiazin-6-yl)-3-phenylurea (PubChem CID 31772262) has the molecular formula C15H13N3O2S and a molecular weight of 299.36 g/mol. Its IUPAC name is 1-(3-oxo-4H-1,4-benzothiazin-6-yl)-3-phenylurea.

Molecular Properties

Compound Name1-(3-oxo-4H-1,4-benzothiazin-6-yl)-3-phenylurea
PubChem CID31772262
Molecular FormulaC15H13N3O2S
Molecular Weight299.36 g/mol
Exact Mass299.07
IUPAC Name1-(3-oxo-4H-1,4-benzothiazin-6-yl)-3-phenylurea
SMILESO=C1CSc2ccc(NC(=O)Nc3ccccc3)cc2N1
InChIInChI=1S/C15H13N3O2S/c19-14-9-21-13-7-6-11(8-12(13)18-14)17-15(20)16-10-4-2-1-3-5-10/h1-8H,9H2,(H,18,19)(H2,16,17,20)
InChIKeyGHSFHPHGHJJZBF-UHFFFAOYSA-N
XLogP3.37
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 53.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-oxo-N-phenyl-4H-1,4-benzothiazine-6-carboxamide
CID 24643274
2-(3-oxo-4H-1,4-benzothiazin-6-yl)-N-phenylacetamide
CID 110771518
N-(3-oxo-4H-1,4-benzothiazin-6-yl)-3-phenylpropanamide
CID 37015148
1-(2,2-dimethylpropyl)-3-(3-oxo-4H-1,4-benzothiazin-6-yl)urea
CID 110774699
2,2-difluoro-N-(3-oxo-4H-1,4-benzothiazin-6-yl)acetamide
CID 113219045
N-(3-oxo-4H-1,4-benzothiazin-6-yl)-3-phenoxybenzamide
CID 35875024
3-hydroxy-N-(3-oxo-4H-1,4-benzothiazin-6-yl)propanamide
CID 115138762
6-benzoyl-4H-1,4-benzothiazin-3-one
CID 11958353
N-(3-oxo-4H-1,4-benzothiazin-6-yl)-4-phenoxybutanamide
CID 31721130
3-chloro-N-(3-oxo-4H-1,4-benzothiazin-6-yl)propanamide
CID 43699746
3-fluoro-N-(3-oxo-4H-1,4-benzothiazin-6-yl)benzamide
CID 35874940
N-(3-oxo-4H-1,4-benzothiazin-6-yl)-3-(prop-2-enoylamino)benzamide
CID 167886727

Frequently Asked Questions

What is the IUPAC name of 1-(3-oxo-4H-1,4-benzothiazin-6-yl)-3-phenylurea?
The IUPAC name of 1-(3-oxo-4H-1,4-benzothiazin-6-yl)-3-phenylurea (CID 31772262) is 1-(3-oxo-4H-1,4-benzothiazin-6-yl)-3-phenylurea.
What is the SMILES notation for 1-(3-oxo-4H-1,4-benzothiazin-6-yl)-3-phenylurea?
The canonical SMILES for 1-(3-oxo-4H-1,4-benzothiazin-6-yl)-3-phenylurea is O=C1CSc2ccc(NC(=O)Nc3ccccc3)cc2N1.
What is the InChIKey of 1-(3-oxo-4H-1,4-benzothiazin-6-yl)-3-phenylurea?
The InChIKey is GHSFHPHGHJJZBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2S/c19-14-9-21-13-7-6-11(8-12(13)18-14)17-15(20)16-10-4-2-1-3-5-10/h1-8H,9H2,(H,18,19)(H2,16,17,20).
What are the key properties of 1-(3-oxo-4H-1,4-benzothiazin-6-yl)-3-phenylurea?
1-(3-oxo-4H-1,4-benzothiazin-6-yl)-3-phenylurea has a molecular weight of 299.36 g/mol, XLogP of 3.37, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-oxo-4H-1,4-benzothiazin-6-yl)-3-phenylurea is sourced from PubChem (CID 31772262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).