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

C15H23N3O3S — CID 90572724

IUPAC8-tert-butyl-N-(2-hydroxypropyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
SMILESCC(O)CNC(=O)C1CSc2nc(C(C)(C)C)cc(=O)n2C1
InChIInChI=1S/C15H23N3O3S/c1-9(19)6-16-13(21)10-7-18-12(20)5-11(15(2,3)4)17-14(18)22-8-10/h5,9-10,19H,6-8H2,1-4H3,(H,16,21)
InChIKeyCKMFERBVZADHIZ-UHFFFAOYSA-N
MW325.43 g/mol
LogP0.76
Rot. Bonds3

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

8-tert-butyl-N-(2-hydroxypropyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide (PubChem CID 90572724) has the molecular formula C15H23N3O3S and a molecular weight of 325.43 g/mol. Its IUPAC name is 8-tert-butyl-N-(2-hydroxypropyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide.

Molecular Properties

Compound Name8-tert-butyl-N-(2-hydroxypropyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
PubChem CID90572724
Molecular FormulaC15H23N3O3S
Molecular Weight325.43 g/mol
Exact Mass325.15
IUPAC Name8-tert-butyl-N-(2-hydroxypropyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
SMILESCC(O)CNC(=O)C1CSc2nc(C(C)(C)C)cc(=O)n2C1
InChIInChI=1S/C15H23N3O3S/c1-9(19)6-16-13(21)10-7-18-12(20)5-11(15(2,3)4)17-14(18)22-8-10/h5,9-10,19H,6-8H2,1-4H3,(H,16,21)
InChIKeyCKMFERBVZADHIZ-UHFFFAOYSA-N
XLogP0.76
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 50.76
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-(2-hydroxypropyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The IUPAC name of 8-tert-butyl-N-(2-hydroxypropyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide (CID 90572724) is 8-tert-butyl-N-(2-hydroxypropyl)-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-hydroxypropyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The canonical SMILES for 8-tert-butyl-N-(2-hydroxypropyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide is CC(O)CNC(=O)C1CSc2nc(C(C)(C)C)cc(=O)n2C1.
What is the InChIKey of 8-tert-butyl-N-(2-hydroxypropyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The InChIKey is CKMFERBVZADHIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3S/c1-9(19)6-16-13(21)10-7-18-12(20)5-11(15(2,3)4)17-14(18)22-8-10/h5,9-10,19H,6-8H2,1-4H3,(H,16,21).
What are the key properties of 8-tert-butyl-N-(2-hydroxypropyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
8-tert-butyl-N-(2-hydroxypropyl)-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 0.76, 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-(2-hydroxypropyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide is sourced from PubChem (CID 90572724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).