ethyl 1-(7-ethyl-8-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carbonyl)piperidine-3-carboxylate

C19H27N3O4S — CID 71802356

IUPACethyl 1-(7-ethyl-8-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carbonyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)C2CSc3nc(C)c(CC)c(=O)n3C2)C1
InChIInChI=1S/C19H27N3O4S/c1-4-15-12(3)20-19-22(17(15)24)10-14(11-27-19)16(23)21-8-6-7-13(9-21)18(25)26-5-2/h13-14H,4-11H2,1-3H3
InChIKeyOGMIDDFXHXFLEB-UHFFFAOYSA-N
MW393.51 g/mol
LogP1.64
Rot. Bonds4

About ethyl 1-(7-ethyl-8-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carbonyl)piperidine-3-carboxylate

ethyl 1-(7-ethyl-8-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carbonyl)piperidine-3-carboxylate (PubChem CID 71802356) has the molecular formula C19H27N3O4S and a molecular weight of 393.51 g/mol. Its IUPAC name is ethyl 1-(7-ethyl-8-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carbonyl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(7-ethyl-8-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carbonyl)piperidine-3-carboxylate
PubChem CID71802356
Molecular FormulaC19H27N3O4S
Molecular Weight393.51 g/mol
Exact Mass393.17
IUPAC Nameethyl 1-(7-ethyl-8-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carbonyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)C2CSc3nc(C)c(CC)c(=O)n3C2)C1
InChIInChI=1S/C19H27N3O4S/c1-4-15-12(3)20-19-22(17(15)24)10-14(11-27-19)16(23)21-8-6-7-13(9-21)18(25)26-5-2/h13-14H,4-11H2,1-3H3
InChIKeyOGMIDDFXHXFLEB-UHFFFAOYSA-N
XLogP1.64
TPSA81.50 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(7-ethyl-8-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carbonyl)piperidine-3-carboxylate?
The IUPAC name of ethyl 1-(7-ethyl-8-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carbonyl)piperidine-3-carboxylate (CID 71802356) is ethyl 1-(7-ethyl-8-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carbonyl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-(7-ethyl-8-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carbonyl)piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-(7-ethyl-8-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carbonyl)piperidine-3-carboxylate is CCOC(=O)C1CCCN(C(=O)C2CSc3nc(C)c(CC)c(=O)n3C2)C1.
What is the InChIKey of ethyl 1-(7-ethyl-8-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carbonyl)piperidine-3-carboxylate?
The InChIKey is OGMIDDFXHXFLEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O4S/c1-4-15-12(3)20-19-22(17(15)24)10-14(11-27-19)16(23)21-8-6-7-13(9-21)18(25)26-5-2/h13-14H,4-11H2,1-3H3.
What are the key properties of ethyl 1-(7-ethyl-8-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carbonyl)piperidine-3-carboxylate?
ethyl 1-(7-ethyl-8-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carbonyl)piperidine-3-carboxylate has a molecular weight of 393.51 g/mol, XLogP of 1.64, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(7-ethyl-8-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carbonyl)piperidine-3-carboxylate is sourced from PubChem (CID 71802356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).