1-(4-methyl-3-oxo-1,4-benzothiazin-6-yl)-3-pyridin-2-ylurea

C15H14N4O2S — CID 3243427

IUPAC1-(4-methyl-3-oxo-1,4-benzothiazin-6-yl)-3-pyridin-2-ylurea
SMILESCN1C(=O)CSc2ccc(NC(=O)Nc3ccccn3)cc21
InChIInChI=1S/C15H14N4O2S/c1-19-11-8-10(5-6-12(11)22-9-14(19)20)17-15(21)18-13-4-2-3-7-16-13/h2-8H,9H2,1H3,(H2,16,17,18,21)
InChIKeyDGONAYXBQVRJIF-UHFFFAOYSA-N
MW314.37 g/mol
LogP2.79
Rot. Bonds2

About 1-(4-methyl-3-oxo-1,4-benzothiazin-6-yl)-3-pyridin-2-ylurea

1-(4-methyl-3-oxo-1,4-benzothiazin-6-yl)-3-pyridin-2-ylurea (PubChem CID 3243427) has the molecular formula C15H14N4O2S and a molecular weight of 314.37 g/mol. Its IUPAC name is 1-(4-methyl-3-oxo-1,4-benzothiazin-6-yl)-3-pyridin-2-ylurea.

Molecular Properties

Compound Name1-(4-methyl-3-oxo-1,4-benzothiazin-6-yl)-3-pyridin-2-ylurea
PubChem CID3243427
Molecular FormulaC15H14N4O2S
Molecular Weight314.37 g/mol
Exact Mass314.08
IUPAC Name1-(4-methyl-3-oxo-1,4-benzothiazin-6-yl)-3-pyridin-2-ylurea
SMILESCN1C(=O)CSc2ccc(NC(=O)Nc3ccccn3)cc21
InChIInChI=1S/C15H14N4O2S/c1-19-11-8-10(5-6-12(11)22-9-14(19)20)17-15(21)18-13-4-2-3-7-16-13/h2-8H,9H2,1H3,(H2,16,17,18,21)
InChIKeyDGONAYXBQVRJIF-UHFFFAOYSA-N
XLogP2.79
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-3-oxo-1,4-benzothiazin-6-yl)-3-pyridin-2-ylurea?
The IUPAC name of 1-(4-methyl-3-oxo-1,4-benzothiazin-6-yl)-3-pyridin-2-ylurea (CID 3243427) is 1-(4-methyl-3-oxo-1,4-benzothiazin-6-yl)-3-pyridin-2-ylurea.
What is the SMILES notation for 1-(4-methyl-3-oxo-1,4-benzothiazin-6-yl)-3-pyridin-2-ylurea?
The canonical SMILES for 1-(4-methyl-3-oxo-1,4-benzothiazin-6-yl)-3-pyridin-2-ylurea is CN1C(=O)CSc2ccc(NC(=O)Nc3ccccn3)cc21.
What is the InChIKey of 1-(4-methyl-3-oxo-1,4-benzothiazin-6-yl)-3-pyridin-2-ylurea?
The InChIKey is DGONAYXBQVRJIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2S/c1-19-11-8-10(5-6-12(11)22-9-14(19)20)17-15(21)18-13-4-2-3-7-16-13/h2-8H,9H2,1H3,(H2,16,17,18,21).
What are the key properties of 1-(4-methyl-3-oxo-1,4-benzothiazin-6-yl)-3-pyridin-2-ylurea?
1-(4-methyl-3-oxo-1,4-benzothiazin-6-yl)-3-pyridin-2-ylurea has a molecular weight of 314.37 g/mol, XLogP of 2.79, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-3-oxo-1,4-benzothiazin-6-yl)-3-pyridin-2-ylurea is sourced from PubChem (CID 3243427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).