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

C16H25N3O4S — CID 90572732

IUPAC8-tert-butyl-N-(2,2-dimethoxyethyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
SMILESCOC(CNC(=O)C1CSc2nc(C(C)(C)C)cc(=O)n2C1)OC
InChIInChI=1S/C16H25N3O4S/c1-16(2,3)11-6-12(20)19-8-10(9-24-15(19)18-11)14(21)17-7-13(22-4)23-5/h6,10,13H,7-9H2,1-5H3,(H,17,21)
InChIKeyRNNIUYHCMDRBRH-UHFFFAOYSA-N
MW355.46 g/mol
LogP1.00
Rot. Bonds5

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

8-tert-butyl-N-(2,2-dimethoxyethyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide (PubChem CID 90572732) has the molecular formula C16H25N3O4S and a molecular weight of 355.46 g/mol. Its IUPAC name is 8-tert-butyl-N-(2,2-dimethoxyethyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide.

Molecular Properties

Compound Name8-tert-butyl-N-(2,2-dimethoxyethyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
PubChem CID90572732
Molecular FormulaC16H25N3O4S
Molecular Weight355.46 g/mol
Exact Mass355.16
IUPAC Name8-tert-butyl-N-(2,2-dimethoxyethyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
SMILESCOC(CNC(=O)C1CSc2nc(C(C)(C)C)cc(=O)n2C1)OC
InChIInChI=1S/C16H25N3O4S/c1-16(2,3)11-6-12(20)19-8-10(9-24-15(19)18-11)14(21)17-7-13(22-4)23-5/h6,10,13H,7-9H2,1-5H3,(H,17,21)
InChIKeyRNNIUYHCMDRBRH-UHFFFAOYSA-N
XLogP1.00
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-tert-butyl-N-(2,2-dimethoxyethyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The IUPAC name of 8-tert-butyl-N-(2,2-dimethoxyethyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide (CID 90572732) is 8-tert-butyl-N-(2,2-dimethoxyethyl)-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-(2,2-dimethoxyethyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The canonical SMILES for 8-tert-butyl-N-(2,2-dimethoxyethyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide is COC(CNC(=O)C1CSc2nc(C(C)(C)C)cc(=O)n2C1)OC.
What is the InChIKey of 8-tert-butyl-N-(2,2-dimethoxyethyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The InChIKey is RNNIUYHCMDRBRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O4S/c1-16(2,3)11-6-12(20)19-8-10(9-24-15(19)18-11)14(21)17-7-13(22-4)23-5/h6,10,13H,7-9H2,1-5H3,(H,17,21).
What are the key properties of 8-tert-butyl-N-(2,2-dimethoxyethyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
8-tert-butyl-N-(2,2-dimethoxyethyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide has a molecular weight of 355.46 g/mol, XLogP of 1.00, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-tert-butyl-N-(2,2-dimethoxyethyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide is sourced from PubChem (CID 90572732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).