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

C16H25N3O3S — CID 90572727

IUPAC8-tert-butyl-N-(1-hydroxy-2-methylpropan-2-yl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
SMILESCC(C)(CO)NC(=O)C1CSc2nc(C(C)(C)C)cc(=O)n2C1
InChIInChI=1S/C16H25N3O3S/c1-15(2,3)11-6-12(21)19-7-10(8-23-14(19)17-11)13(22)18-16(4,5)9-20/h6,10,20H,7-9H2,1-5H3,(H,18,22)
InChIKeyBWYCAPYYXURFFV-UHFFFAOYSA-N
MW339.46 g/mol
LogP1.15
Rot. Bonds3

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

8-tert-butyl-N-(1-hydroxy-2-methylpropan-2-yl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide (PubChem CID 90572727) has the molecular formula C16H25N3O3S and a molecular weight of 339.46 g/mol. Its IUPAC name is 8-tert-butyl-N-(1-hydroxy-2-methylpropan-2-yl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide.

Molecular Properties

Compound Name8-tert-butyl-N-(1-hydroxy-2-methylpropan-2-yl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
PubChem CID90572727
Molecular FormulaC16H25N3O3S
Molecular Weight339.46 g/mol
Exact Mass339.16
IUPAC Name8-tert-butyl-N-(1-hydroxy-2-methylpropan-2-yl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
SMILESCC(C)(CO)NC(=O)C1CSc2nc(C(C)(C)C)cc(=O)n2C1
InChIInChI=1S/C16H25N3O3S/c1-15(2,3)11-6-12(21)19-7-10(8-23-14(19)17-11)13(22)18-16(4,5)9-20/h6,10,20H,7-9H2,1-5H3,(H,18,22)
InChIKeyBWYCAPYYXURFFV-UHFFFAOYSA-N
XLogP1.15
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-tert-butyl-N-(1-hydroxy-2-methylpropan-2-yl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The IUPAC name of 8-tert-butyl-N-(1-hydroxy-2-methylpropan-2-yl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide (CID 90572727) is 8-tert-butyl-N-(1-hydroxy-2-methylpropan-2-yl)-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-(1-hydroxy-2-methylpropan-2-yl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The canonical SMILES for 8-tert-butyl-N-(1-hydroxy-2-methylpropan-2-yl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide is CC(C)(CO)NC(=O)C1CSc2nc(C(C)(C)C)cc(=O)n2C1.
What is the InChIKey of 8-tert-butyl-N-(1-hydroxy-2-methylpropan-2-yl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The InChIKey is BWYCAPYYXURFFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3S/c1-15(2,3)11-6-12(21)19-7-10(8-23-14(19)17-11)13(22)18-16(4,5)9-20/h6,10,20H,7-9H2,1-5H3,(H,18,22).
What are the key properties of 8-tert-butyl-N-(1-hydroxy-2-methylpropan-2-yl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
8-tert-butyl-N-(1-hydroxy-2-methylpropan-2-yl)-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 1.15, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-tert-butyl-N-(1-hydroxy-2-methylpropan-2-yl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide is sourced from PubChem (CID 90572727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).