tert-butyl N-methyl-N-[6-(4-oxo-1,3-benzothiazin-2-yl)-2-pyridinyl]carbamate

C19H19N3O3S — CID 59750257

IUPACtert-butyl N-methyl-N-[6-(4-oxo-1,3-benzothiazin-2-yl)-2-pyridinyl]carbamate
SMILESCN(C(=O)OC(C)(C)C)c1cccc(-c2nc(=O)c3ccccc3s2)n1
InChIInChI=1S/C19H19N3O3S/c1-19(2,3)25-18(24)22(4)15-11-7-9-13(20-15)17-21-16(23)12-8-5-6-10-14(12)26-17/h5-11H,1-4H3
InChIKeyBSMDZWODFHQODM-UHFFFAOYSA-N
MW369.45 g/mol
LogP4.09
Rot. Bonds2

About tert-butyl N-methyl-N-[6-(4-oxo-1,3-benzothiazin-2-yl)-2-pyridinyl]carbamate

tert-butyl N-methyl-N-[6-(4-oxo-1,3-benzothiazin-2-yl)-2-pyridinyl]carbamate (PubChem CID 59750257) has the molecular formula C19H19N3O3S and a molecular weight of 369.45 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[6-(4-oxo-1,3-benzothiazin-2-yl)-2-pyridinyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-[6-(4-oxo-1,3-benzothiazin-2-yl)-2-pyridinyl]carbamate
PubChem CID59750257
Molecular FormulaC19H19N3O3S
Molecular Weight369.45 g/mol
Exact Mass369.11
IUPAC Nametert-butyl N-methyl-N-[6-(4-oxo-1,3-benzothiazin-2-yl)-2-pyridinyl]carbamate
SMILESCN(C(=O)OC(C)(C)C)c1cccc(-c2nc(=O)c3ccccc3s2)n1
InChIInChI=1S/C19H19N3O3S/c1-19(2,3)25-18(24)22(4)15-11-7-9-13(20-15)17-21-16(23)12-8-5-6-10-14(12)26-17/h5-11H,1-4H3
InChIKeyBSMDZWODFHQODM-UHFFFAOYSA-N
XLogP4.09
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-[6-(4-oxo-1,3-benzothiazin-2-yl)-2-pyridinyl]carbamate?
The IUPAC name of tert-butyl N-methyl-N-[6-(4-oxo-1,3-benzothiazin-2-yl)-2-pyridinyl]carbamate (CID 59750257) is tert-butyl N-methyl-N-[6-(4-oxo-1,3-benzothiazin-2-yl)-2-pyridinyl]carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-[6-(4-oxo-1,3-benzothiazin-2-yl)-2-pyridinyl]carbamate?
The canonical SMILES for tert-butyl N-methyl-N-[6-(4-oxo-1,3-benzothiazin-2-yl)-2-pyridinyl]carbamate is CN(C(=O)OC(C)(C)C)c1cccc(-c2nc(=O)c3ccccc3s2)n1.
What is the InChIKey of tert-butyl N-methyl-N-[6-(4-oxo-1,3-benzothiazin-2-yl)-2-pyridinyl]carbamate?
The InChIKey is BSMDZWODFHQODM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3S/c1-19(2,3)25-18(24)22(4)15-11-7-9-13(20-15)17-21-16(23)12-8-5-6-10-14(12)26-17/h5-11H,1-4H3.
What are the key properties of tert-butyl N-methyl-N-[6-(4-oxo-1,3-benzothiazin-2-yl)-2-pyridinyl]carbamate?
tert-butyl N-methyl-N-[6-(4-oxo-1,3-benzothiazin-2-yl)-2-pyridinyl]carbamate has a molecular weight of 369.45 g/mol, XLogP of 4.09, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-[6-(4-oxo-1,3-benzothiazin-2-yl)-2-pyridinyl]carbamate is sourced from PubChem (CID 59750257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).