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

C14H21N3O3S — CID 90572722

IUPAC8-tert-butyl-N-(2-hydroxyethyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
SMILESCC(C)(C)c1cc(=O)n2c(n1)SCC(C(=O)NCCO)C2
InChIInChI=1S/C14H21N3O3S/c1-14(2,3)10-6-11(19)17-7-9(8-21-13(17)16-10)12(20)15-4-5-18/h6,9,18H,4-5,7-8H2,1-3H3,(H,15,20)
InChIKeyRGBAQNDYEPEFLX-UHFFFAOYSA-N
MW311.41 g/mol
LogP0.37
Rot. Bonds3

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

8-tert-butyl-N-(2-hydroxyethyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide (PubChem CID 90572722) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is 8-tert-butyl-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-(2-hydroxyethyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
PubChem CID90572722
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC Name8-tert-butyl-N-(2-hydroxyethyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
SMILESCC(C)(C)c1cc(=O)n2c(n1)SCC(C(=O)NCCO)C2
InChIInChI=1S/C14H21N3O3S/c1-14(2,3)10-6-11(19)17-7-9(8-21-13(17)16-10)12(20)15-4-5-18/h6,9,18H,4-5,7-8H2,1-3H3,(H,15,20)
InChIKeyRGBAQNDYEPEFLX-UHFFFAOYSA-N
XLogP0.37
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 50.37
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-hydroxyethyl)-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)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide (CID 90572722) is 8-tert-butyl-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-(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-(2-hydroxyethyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide is CC(C)(C)c1cc(=O)n2c(n1)SCC(C(=O)NCCO)C2.
What is the InChIKey of 8-tert-butyl-N-(2-hydroxyethyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The InChIKey is RGBAQNDYEPEFLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S/c1-14(2,3)10-6-11(19)17-7-9(8-21-13(17)16-10)12(20)15-4-5-18/h6,9,18H,4-5,7-8H2,1-3H3,(H,15,20).
What are the key properties of 8-tert-butyl-N-(2-hydroxyethyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
8-tert-butyl-N-(2-hydroxyethyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide has a molecular weight of 311.41 g/mol, XLogP of 0.37, 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-hydroxyethyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide is sourced from PubChem (CID 90572722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).