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

C18H22N4O2S — CID 71802327

IUPAC8-tert-butyl-6-oxo-N-(pyridin-2-ylmethyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
SMILESCC(C)(C)c1cc(=O)n2c(n1)SCC(C(=O)NCc1ccccn1)C2
InChIInChI=1S/C18H22N4O2S/c1-18(2,3)14-8-15(23)22-10-12(11-25-17(22)21-14)16(24)20-9-13-6-4-5-7-19-13/h4-8,12H,9-11H2,1-3H3,(H,20,24)
InChIKeyREAFVNJZXZCBJR-UHFFFAOYSA-N
MW358.47 g/mol
LogP1.97
Rot. Bonds3

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

8-tert-butyl-6-oxo-N-(pyridin-2-ylmethyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide (PubChem CID 71802327) has the molecular formula C18H22N4O2S and a molecular weight of 358.47 g/mol. Its IUPAC name is 8-tert-butyl-6-oxo-N-(pyridin-2-ylmethyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide.

Molecular Properties

Compound Name8-tert-butyl-6-oxo-N-(pyridin-2-ylmethyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
PubChem CID71802327
Molecular FormulaC18H22N4O2S
Molecular Weight358.47 g/mol
Exact Mass358.15
IUPAC Name8-tert-butyl-6-oxo-N-(pyridin-2-ylmethyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
SMILESCC(C)(C)c1cc(=O)n2c(n1)SCC(C(=O)NCc1ccccn1)C2
InChIInChI=1S/C18H22N4O2S/c1-18(2,3)14-8-15(23)22-10-12(11-25-17(22)21-14)16(24)20-9-13-6-4-5-7-19-13/h4-8,12H,9-11H2,1-3H3,(H,20,24)
InChIKeyREAFVNJZXZCBJR-UHFFFAOYSA-N
XLogP1.97
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.47
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-tert-butyl-6-oxo-N-(pyridin-2-ylmethyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The IUPAC name of 8-tert-butyl-6-oxo-N-(pyridin-2-ylmethyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide (CID 71802327) is 8-tert-butyl-6-oxo-N-(pyridin-2-ylmethyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide.
What is the SMILES notation for 8-tert-butyl-6-oxo-N-(pyridin-2-ylmethyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The canonical SMILES for 8-tert-butyl-6-oxo-N-(pyridin-2-ylmethyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide is CC(C)(C)c1cc(=O)n2c(n1)SCC(C(=O)NCc1ccccn1)C2.
What is the InChIKey of 8-tert-butyl-6-oxo-N-(pyridin-2-ylmethyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The InChIKey is REAFVNJZXZCBJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2S/c1-18(2,3)14-8-15(23)22-10-12(11-25-17(22)21-14)16(24)20-9-13-6-4-5-7-19-13/h4-8,12H,9-11H2,1-3H3,(H,20,24).
What are the key properties of 8-tert-butyl-6-oxo-N-(pyridin-2-ylmethyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
8-tert-butyl-6-oxo-N-(pyridin-2-ylmethyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide has a molecular weight of 358.47 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-tert-butyl-6-oxo-N-(pyridin-2-ylmethyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide is sourced from PubChem (CID 71802327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).