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

C16H25N3O3S — CID 90572667

IUPAC8-tert-butyl-N-ethyl-N-(2-hydroxyethyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
SMILESCCN(CCO)C(=O)C1CSc2nc(C(C)(C)C)cc(=O)n2C1
InChIInChI=1S/C16H25N3O3S/c1-5-18(6-7-20)14(22)11-9-19-13(21)8-12(16(2,3)4)17-15(19)23-10-11/h8,11,20H,5-7,9-10H2,1-4H3
InChIKeyPQJUBZKTLLBQTK-UHFFFAOYSA-N
MW339.46 g/mol
LogP1.10
Rot. Bonds4

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

8-tert-butyl-N-ethyl-N-(2-hydroxyethyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide (PubChem CID 90572667) has the molecular formula C16H25N3O3S and a molecular weight of 339.46 g/mol. Its IUPAC name is 8-tert-butyl-N-ethyl-N-(2-hydroxyethyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide.

Molecular Properties

Compound Name8-tert-butyl-N-ethyl-N-(2-hydroxyethyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
PubChem CID90572667
Molecular FormulaC16H25N3O3S
Molecular Weight339.46 g/mol
Exact Mass339.16
IUPAC Name8-tert-butyl-N-ethyl-N-(2-hydroxyethyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
SMILESCCN(CCO)C(=O)C1CSc2nc(C(C)(C)C)cc(=O)n2C1
InChIInChI=1S/C16H25N3O3S/c1-5-18(6-7-20)14(22)11-9-19-13(21)8-12(16(2,3)4)17-15(19)23-10-11/h8,11,20H,5-7,9-10H2,1-4H3
InChIKeyPQJUBZKTLLBQTK-UHFFFAOYSA-N
XLogP1.10
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-tert-butyl-N-ethyl-N-(2-hydroxyethyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The IUPAC name of 8-tert-butyl-N-ethyl-N-(2-hydroxyethyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide (CID 90572667) is 8-tert-butyl-N-ethyl-N-(2-hydroxyethyl)-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-ethyl-N-(2-hydroxyethyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The canonical SMILES for 8-tert-butyl-N-ethyl-N-(2-hydroxyethyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide is CCN(CCO)C(=O)C1CSc2nc(C(C)(C)C)cc(=O)n2C1.
What is the InChIKey of 8-tert-butyl-N-ethyl-N-(2-hydroxyethyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The InChIKey is PQJUBZKTLLBQTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3S/c1-5-18(6-7-20)14(22)11-9-19-13(21)8-12(16(2,3)4)17-15(19)23-10-11/h8,11,20H,5-7,9-10H2,1-4H3.
What are the key properties of 8-tert-butyl-N-ethyl-N-(2-hydroxyethyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
8-tert-butyl-N-ethyl-N-(2-hydroxyethyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide has a molecular weight of 339.46 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-tert-butyl-N-ethyl-N-(2-hydroxyethyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide is sourced from PubChem (CID 90572667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).