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

C17H27N3O3S — CID 90572708

IUPAC8-tert-butyl-N-(2-hydroxyethyl)-6-oxo-N-propan-2-yl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
SMILESCC(C)N(CCO)C(=O)C1CSc2nc(C(C)(C)C)cc(=O)n2C1
InChIInChI=1S/C17H27N3O3S/c1-11(2)19(6-7-21)15(23)12-9-20-14(22)8-13(17(3,4)5)18-16(20)24-10-12/h8,11-12,21H,6-7,9-10H2,1-5H3
InChIKeyZUJKTNBGLSKKKR-UHFFFAOYSA-N
MW353.49 g/mol
LogP1.49
Rot. Bonds4

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

8-tert-butyl-N-(2-hydroxyethyl)-6-oxo-N-propan-2-yl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide (PubChem CID 90572708) has the molecular formula C17H27N3O3S and a molecular weight of 353.49 g/mol. Its IUPAC name is 8-tert-butyl-N-(2-hydroxyethyl)-6-oxo-N-propan-2-yl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide.

Molecular Properties

Compound Name8-tert-butyl-N-(2-hydroxyethyl)-6-oxo-N-propan-2-yl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
PubChem CID90572708
Molecular FormulaC17H27N3O3S
Molecular Weight353.49 g/mol
Exact Mass353.18
IUPAC Name8-tert-butyl-N-(2-hydroxyethyl)-6-oxo-N-propan-2-yl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
SMILESCC(C)N(CCO)C(=O)C1CSc2nc(C(C)(C)C)cc(=O)n2C1
InChIInChI=1S/C17H27N3O3S/c1-11(2)19(6-7-21)15(23)12-9-20-14(22)8-13(17(3,4)5)18-16(20)24-10-12/h8,11-12,21H,6-7,9-10H2,1-5H3
InChIKeyZUJKTNBGLSKKKR-UHFFFAOYSA-N
XLogP1.49
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.49
LogP ≤ 51.49
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)-6-oxo-N-propan-2-yl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The IUPAC name of 8-tert-butyl-N-(2-hydroxyethyl)-6-oxo-N-propan-2-yl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide (CID 90572708) is 8-tert-butyl-N-(2-hydroxyethyl)-6-oxo-N-propan-2-yl-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)-6-oxo-N-propan-2-yl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The canonical SMILES for 8-tert-butyl-N-(2-hydroxyethyl)-6-oxo-N-propan-2-yl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide is CC(C)N(CCO)C(=O)C1CSc2nc(C(C)(C)C)cc(=O)n2C1.
What is the InChIKey of 8-tert-butyl-N-(2-hydroxyethyl)-6-oxo-N-propan-2-yl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The InChIKey is ZUJKTNBGLSKKKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3S/c1-11(2)19(6-7-21)15(23)12-9-20-14(22)8-13(17(3,4)5)18-16(20)24-10-12/h8,11-12,21H,6-7,9-10H2,1-5H3.
What are the key properties of 8-tert-butyl-N-(2-hydroxyethyl)-6-oxo-N-propan-2-yl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
8-tert-butyl-N-(2-hydroxyethyl)-6-oxo-N-propan-2-yl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide has a molecular weight of 353.49 g/mol, XLogP of 1.49, 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-(2-hydroxyethyl)-6-oxo-N-propan-2-yl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide is sourced from PubChem (CID 90572708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).