7-ethyl-8-methyl-6-oxo-N-propyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide

C14H21N3O2S — CID 90573058

IUPAC7-ethyl-8-methyl-6-oxo-N-propyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
SMILESCCCNC(=O)C1CSc2nc(C)c(CC)c(=O)n2C1
InChIInChI=1S/C14H21N3O2S/c1-4-6-15-12(18)10-7-17-13(19)11(5-2)9(3)16-14(17)20-8-10/h10H,4-8H2,1-3H3,(H,15,18)
InChIKeyKNKGZAMFJIJTAM-UHFFFAOYSA-N
MW295.41 g/mol
LogP1.36
Rot. Bonds4

About 7-ethyl-8-methyl-6-oxo-N-propyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide

7-ethyl-8-methyl-6-oxo-N-propyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide (PubChem CID 90573058) has the molecular formula C14H21N3O2S and a molecular weight of 295.41 g/mol. Its IUPAC name is 7-ethyl-8-methyl-6-oxo-N-propyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide.

Molecular Properties

Compound Name7-ethyl-8-methyl-6-oxo-N-propyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
PubChem CID90573058
Molecular FormulaC14H21N3O2S
Molecular Weight295.41 g/mol
Exact Mass295.14
IUPAC Name7-ethyl-8-methyl-6-oxo-N-propyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
SMILESCCCNC(=O)C1CSc2nc(C)c(CC)c(=O)n2C1
InChIInChI=1S/C14H21N3O2S/c1-4-6-15-12(18)10-7-17-13(19)11(5-2)9(3)16-14(17)20-8-10/h10H,4-8H2,1-3H3,(H,15,18)
InChIKeyKNKGZAMFJIJTAM-UHFFFAOYSA-N
XLogP1.36
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-8-methyl-6-oxo-N-propyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The IUPAC name of 7-ethyl-8-methyl-6-oxo-N-propyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide (CID 90573058) is 7-ethyl-8-methyl-6-oxo-N-propyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide.
What is the SMILES notation for 7-ethyl-8-methyl-6-oxo-N-propyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The canonical SMILES for 7-ethyl-8-methyl-6-oxo-N-propyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide is CCCNC(=O)C1CSc2nc(C)c(CC)c(=O)n2C1.
What is the InChIKey of 7-ethyl-8-methyl-6-oxo-N-propyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The InChIKey is KNKGZAMFJIJTAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2S/c1-4-6-15-12(18)10-7-17-13(19)11(5-2)9(3)16-14(17)20-8-10/h10H,4-8H2,1-3H3,(H,15,18).
What are the key properties of 7-ethyl-8-methyl-6-oxo-N-propyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
7-ethyl-8-methyl-6-oxo-N-propyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide has a molecular weight of 295.41 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-8-methyl-6-oxo-N-propyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide is sourced from PubChem (CID 90573058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).