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

C18H17N3O3S — CID 22939388

IUPACtert-butyl N-[2-(4-oxo-1,3-benzothiazin-2-yl)-4-pyridinyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccnc(-c2nc(=O)c3ccccc3s2)c1
InChIInChI=1S/C18H17N3O3S/c1-18(2,3)24-17(23)20-11-8-9-19-13(10-11)16-21-15(22)12-6-4-5-7-14(12)25-16/h4-10H,1-3H3,(H,19,20,23)
InChIKeyUTSCHKPAIWRPFG-UHFFFAOYSA-N
MW355.42 g/mol
LogP4.07
Rot. Bonds2

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

tert-butyl N-[2-(4-oxo-1,3-benzothiazin-2-yl)-4-pyridinyl]carbamate (PubChem CID 22939388) has the molecular formula C18H17N3O3S and a molecular weight of 355.42 g/mol. Its IUPAC name is tert-butyl N-[2-(4-oxo-1,3-benzothiazin-2-yl)-4-pyridinyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(4-oxo-1,3-benzothiazin-2-yl)-4-pyridinyl]carbamate
PubChem CID22939388
Molecular FormulaC18H17N3O3S
Molecular Weight355.42 g/mol
Exact Mass355.10
IUPAC Nametert-butyl N-[2-(4-oxo-1,3-benzothiazin-2-yl)-4-pyridinyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccnc(-c2nc(=O)c3ccccc3s2)c1
InChIInChI=1S/C18H17N3O3S/c1-18(2,3)24-17(23)20-11-8-9-19-13(10-11)16-21-15(22)12-6-4-5-7-14(12)25-16/h4-10H,1-3H3,(H,19,20,23)
InChIKeyUTSCHKPAIWRPFG-UHFFFAOYSA-N
XLogP4.07
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl (E)-3-[2-(4-oxo-1,3-benzothiazin-2-yl)-4-pyridinyl]prop-2-enoate
CID 59750228
tert-butyl N-methyl-N-[6-(4-oxo-1,3-benzothiazin-2-yl)-2-pyridinyl]carbamate
CID 59750257
tert-butyl N-(3-pyridin-2-ylphenyl)carbamate
CID 53419021
tert-butyl N-(2-acetyl-4-pyridinyl)carbamate
CID 69108642
tert-butyl N-[4-(isoquinoline-1-carbonylamino)phenyl]carbamate
CID 54197317
tert-butyl N-(2-ethynyl-4-pyridinyl)carbamate
CID 121231998
tert-butyl N-dibenzothiophen-4-ylcarbamate
CID 10946489
tert-butyl N-[3-(2-methylpyrimidin-4-yl)phenyl]carbamate
CID 101394554
tert-butyl N-[3-[[3-[(2-dibenzofuran-4-yl-4-pyridinyl)amino]phenyl]carbamoyl]phenyl]carbamate
CID 156902638
tert-butyl N-[2-(difluoromethoxy)-4-pyridinyl]carbamate
CID 175169131
tert-butyl N-[3-[(2-chloro-4-pyridinyl)oxy]phenyl]carbamate
CID 91109215
tert-butyl N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]carbamate
CID 157040003

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(4-oxo-1,3-benzothiazin-2-yl)-4-pyridinyl]carbamate?
The IUPAC name of tert-butyl N-[2-(4-oxo-1,3-benzothiazin-2-yl)-4-pyridinyl]carbamate (CID 22939388) is tert-butyl N-[2-(4-oxo-1,3-benzothiazin-2-yl)-4-pyridinyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(4-oxo-1,3-benzothiazin-2-yl)-4-pyridinyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(4-oxo-1,3-benzothiazin-2-yl)-4-pyridinyl]carbamate is CC(C)(C)OC(=O)Nc1ccnc(-c2nc(=O)c3ccccc3s2)c1.
What is the InChIKey of tert-butyl N-[2-(4-oxo-1,3-benzothiazin-2-yl)-4-pyridinyl]carbamate?
The InChIKey is UTSCHKPAIWRPFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3S/c1-18(2,3)24-17(23)20-11-8-9-19-13(10-11)16-21-15(22)12-6-4-5-7-14(12)25-16/h4-10H,1-3H3,(H,19,20,23).
What are the key properties of tert-butyl N-[2-(4-oxo-1,3-benzothiazin-2-yl)-4-pyridinyl]carbamate?
tert-butyl N-[2-(4-oxo-1,3-benzothiazin-2-yl)-4-pyridinyl]carbamate has a molecular weight of 355.42 g/mol, XLogP of 4.07, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(4-oxo-1,3-benzothiazin-2-yl)-4-pyridinyl]carbamate is sourced from PubChem (CID 22939388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).