8-tert-butyl-N-methoxy-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide

C13H19N3O3S — CID 90572982

IUPAC8-tert-butyl-N-methoxy-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
SMILESCONC(=O)C1CSc2nc(C(C)(C)C)cc(=O)n2C1
InChIInChI=1S/C13H19N3O3S/c1-13(2,3)9-5-10(17)16-6-8(11(18)15-19-4)7-20-12(16)14-9/h5,8H,6-7H2,1-4H3,(H,15,18)
InChIKeyTZIBGJMZUHQJRH-UHFFFAOYSA-N
MW297.38 g/mol
LogP0.94
Rot. Bonds2

About 8-tert-butyl-N-methoxy-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide

8-tert-butyl-N-methoxy-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide (PubChem CID 90572982) has the molecular formula C13H19N3O3S and a molecular weight of 297.38 g/mol. Its IUPAC name is 8-tert-butyl-N-methoxy-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide.

Molecular Properties

Compound Name8-tert-butyl-N-methoxy-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
PubChem CID90572982
Molecular FormulaC13H19N3O3S
Molecular Weight297.38 g/mol
Exact Mass297.11
IUPAC Name8-tert-butyl-N-methoxy-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
SMILESCONC(=O)C1CSc2nc(C(C)(C)C)cc(=O)n2C1
InChIInChI=1S/C13H19N3O3S/c1-13(2,3)9-5-10(17)16-6-8(11(18)15-19-4)7-20-12(16)14-9/h5,8H,6-7H2,1-4H3,(H,15,18)
InChIKeyTZIBGJMZUHQJRH-UHFFFAOYSA-N
XLogP0.94
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

8-(tert-butyl)-6-oxo-N-(2,2,2-trifluoroethyl)-2,3,4,6-tetrahydropyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 90572962
7-ethyl-N-methoxy-N,8-dimethyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 71802399
8-(tert-butyl)-N,N-dimethyl-6-oxo-2,3,4,6-tetrahydropyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 90572653
8-(tert-butyl)-N,N-diethyl-6-oxo-2,3,4,6-tetrahydropyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 90572654
8-(tert-butyl)-6-oxo-N,N-dipropyl-2,3,4,6-tetrahydropyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 90572655
8-(tert-butyl)-N,N-diisopropyl-6-oxo-2,3,4,6-tetrahydropyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 90572656
8-(tert-butyl)-N,N-dibutyl-6-oxo-2,3,4,6-tetrahydropyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 90572657
8-(tert-butyl)-N,N-diisobutyl-6-oxo-2,3,4,6-tetrahydropyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 90572658
8-(tert-butyl)-N,N-bis(2-methoxyethyl)-6-oxo-2,3,4,6-tetrahydropyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 90572659
8-(tert-butyl)-N-butyl-N-methyl-6-oxo-2,3,4,6-tetrahydropyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 90572660
8-(tert-butyl)-N-(2-hydroxyethyl)-N-methyl-6-oxo-2,3,4,6-tetrahydropyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 90572662
8-(tert-butyl)-N-butyl-N-ethyl-6-oxo-2,3,4,6-tetrahydropyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 90572665

Frequently Asked Questions

What is the IUPAC name of 8-tert-butyl-N-methoxy-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The IUPAC name of 8-tert-butyl-N-methoxy-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide (CID 90572982) is 8-tert-butyl-N-methoxy-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide.
What is the SMILES notation for 8-tert-butyl-N-methoxy-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The canonical SMILES for 8-tert-butyl-N-methoxy-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide is CONC(=O)C1CSc2nc(C(C)(C)C)cc(=O)n2C1.
What is the InChIKey of 8-tert-butyl-N-methoxy-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The InChIKey is TZIBGJMZUHQJRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3S/c1-13(2,3)9-5-10(17)16-6-8(11(18)15-19-4)7-20-12(16)14-9/h5,8H,6-7H2,1-4H3,(H,15,18).
What are the key properties of 8-tert-butyl-N-methoxy-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
8-tert-butyl-N-methoxy-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide has a molecular weight of 297.38 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-tert-butyl-N-methoxy-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide is sourced from PubChem (CID 90572982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).