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

C15H23N3O3S — CID 90572662

IUPAC8-tert-butyl-N-(2-hydroxyethyl)-N-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
SMILESCN(CCO)C(=O)C1CSc2nc(C(C)(C)C)cc(=O)n2C1
InChIInChI=1S/C15H23N3O3S/c1-15(2,3)11-7-12(20)18-8-10(9-22-14(18)16-11)13(21)17(4)5-6-19/h7,10,19H,5-6,8-9H2,1-4H3
InChIKeyHJLWWLPDLSUUNV-UHFFFAOYSA-N
MW325.43 g/mol
LogP0.71
Rot. Bonds3

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

8-tert-butyl-N-(2-hydroxyethyl)-N-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide (PubChem CID 90572662) has the molecular formula C15H23N3O3S and a molecular weight of 325.43 g/mol. Its IUPAC name is 8-tert-butyl-N-(2-hydroxyethyl)-N-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide.

Molecular Properties

Compound Name8-tert-butyl-N-(2-hydroxyethyl)-N-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
PubChem CID90572662
Molecular FormulaC15H23N3O3S
Molecular Weight325.43 g/mol
Exact Mass325.15
IUPAC Name8-tert-butyl-N-(2-hydroxyethyl)-N-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
SMILESCN(CCO)C(=O)C1CSc2nc(C(C)(C)C)cc(=O)n2C1
InChIInChI=1S/C15H23N3O3S/c1-15(2,3)11-7-12(20)18-8-10(9-22-14(18)16-11)13(21)17(4)5-6-19/h7,10,19H,5-6,8-9H2,1-4H3
InChIKeyHJLWWLPDLSUUNV-UHFFFAOYSA-N
XLogP0.71
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 50.71
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-(2-hydroxyethyl)-N-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The IUPAC name of 8-tert-butyl-N-(2-hydroxyethyl)-N-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide (CID 90572662) is 8-tert-butyl-N-(2-hydroxyethyl)-N-methyl-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-hydroxyethyl)-N-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The canonical SMILES for 8-tert-butyl-N-(2-hydroxyethyl)-N-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide is CN(CCO)C(=O)C1CSc2nc(C(C)(C)C)cc(=O)n2C1.
What is the InChIKey of 8-tert-butyl-N-(2-hydroxyethyl)-N-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The InChIKey is HJLWWLPDLSUUNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3S/c1-15(2,3)11-7-12(20)18-8-10(9-22-14(18)16-11)13(21)17(4)5-6-19/h7,10,19H,5-6,8-9H2,1-4H3.
What are the key properties of 8-tert-butyl-N-(2-hydroxyethyl)-N-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
8-tert-butyl-N-(2-hydroxyethyl)-N-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide has a molecular weight of 325.43 g/mol, XLogP of 0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-tert-butyl-N-(2-hydroxyethyl)-N-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide is sourced from PubChem (CID 90572662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).