1-(4-methyl-3-oxo-1,4-benzothiazin-6-yl)-3-(4-methyl-2-pyridinyl)urea

C16H16N4O2S — CID 3244803

IUPAC1-(4-methyl-3-oxo-1,4-benzothiazin-6-yl)-3-(4-methyl-2-pyridinyl)urea
SMILESCc1ccnc(NC(=O)Nc2ccc3c(c2)N(C)C(=O)CS3)c1
InChIInChI=1S/C16H16N4O2S/c1-10-5-6-17-14(7-10)19-16(22)18-11-3-4-13-12(8-11)20(2)15(21)9-23-13/h3-8H,9H2,1-2H3,(H2,17,18,19,22)
InChIKeyLMOXFKDLNQLUFA-UHFFFAOYSA-N
MW328.40 g/mol
LogP3.10
Rot. Bonds2

About 1-(4-methyl-3-oxo-1,4-benzothiazin-6-yl)-3-(4-methyl-2-pyridinyl)urea

1-(4-methyl-3-oxo-1,4-benzothiazin-6-yl)-3-(4-methyl-2-pyridinyl)urea (PubChem CID 3244803) has the molecular formula C16H16N4O2S and a molecular weight of 328.40 g/mol. Its IUPAC name is 1-(4-methyl-3-oxo-1,4-benzothiazin-6-yl)-3-(4-methyl-2-pyridinyl)urea.

Molecular Properties

Compound Name1-(4-methyl-3-oxo-1,4-benzothiazin-6-yl)-3-(4-methyl-2-pyridinyl)urea
PubChem CID3244803
Molecular FormulaC16H16N4O2S
Molecular Weight328.40 g/mol
Exact Mass328.10
IUPAC Name1-(4-methyl-3-oxo-1,4-benzothiazin-6-yl)-3-(4-methyl-2-pyridinyl)urea
SMILESCc1ccnc(NC(=O)Nc2ccc3c(c2)N(C)C(=O)CS3)c1
InChIInChI=1S/C16H16N4O2S/c1-10-5-6-17-14(7-10)19-16(22)18-11-3-4-13-12(8-11)20(2)15(21)9-23-13/h3-8H,9H2,1-2H3,(H2,17,18,19,22)
InChIKeyLMOXFKDLNQLUFA-UHFFFAOYSA-N
XLogP3.10
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.40
LogP ≤ 53.10
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-(4-methyl-2-pyridinyl)urea?
The IUPAC name of 1-(4-methyl-3-oxo-1,4-benzothiazin-6-yl)-3-(4-methyl-2-pyridinyl)urea (CID 3244803) is 1-(4-methyl-3-oxo-1,4-benzothiazin-6-yl)-3-(4-methyl-2-pyridinyl)urea.
What is the SMILES notation for 1-(4-methyl-3-oxo-1,4-benzothiazin-6-yl)-3-(4-methyl-2-pyridinyl)urea?
The canonical SMILES for 1-(4-methyl-3-oxo-1,4-benzothiazin-6-yl)-3-(4-methyl-2-pyridinyl)urea is Cc1ccnc(NC(=O)Nc2ccc3c(c2)N(C)C(=O)CS3)c1.
What is the InChIKey of 1-(4-methyl-3-oxo-1,4-benzothiazin-6-yl)-3-(4-methyl-2-pyridinyl)urea?
The InChIKey is LMOXFKDLNQLUFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2S/c1-10-5-6-17-14(7-10)19-16(22)18-11-3-4-13-12(8-11)20(2)15(21)9-23-13/h3-8H,9H2,1-2H3,(H2,17,18,19,22).
What are the key properties of 1-(4-methyl-3-oxo-1,4-benzothiazin-6-yl)-3-(4-methyl-2-pyridinyl)urea?
1-(4-methyl-3-oxo-1,4-benzothiazin-6-yl)-3-(4-methyl-2-pyridinyl)urea has a molecular weight of 328.40 g/mol, XLogP of 3.10, 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-(4-methyl-2-pyridinyl)urea is sourced from PubChem (CID 3244803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).