N,N-bis(2-methoxyethyl)-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide

C15H23N3O4S — CID 90572331

IUPACN,N-bis(2-methoxyethyl)-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
SMILESCOCCN(CCOC)C(=O)C1CSc2ncc(C)c(=O)n2C1
InChIInChI=1S/C15H23N3O4S/c1-11-8-16-15-18(13(11)19)9-12(10-23-15)14(20)17(4-6-21-2)5-7-22-3/h8,12H,4-7,9-10H2,1-3H3
InChIKeyJQNJIWULEZOXJL-UHFFFAOYSA-N
MW341.43 g/mol
LogP0.40
Rot. Bonds7

About N,N-bis(2-methoxyethyl)-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide

N,N-bis(2-methoxyethyl)-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide (PubChem CID 90572331) has the molecular formula C15H23N3O4S and a molecular weight of 341.43 g/mol. Its IUPAC name is N,N-bis(2-methoxyethyl)-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide.

Molecular Properties

Compound NameN,N-bis(2-methoxyethyl)-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
PubChem CID90572331
Molecular FormulaC15H23N3O4S
Molecular Weight341.43 g/mol
Exact Mass341.14
IUPAC NameN,N-bis(2-methoxyethyl)-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
SMILESCOCCN(CCOC)C(=O)C1CSc2ncc(C)c(=O)n2C1
InChIInChI=1S/C15H23N3O4S/c1-11-8-16-15-18(13(11)19)9-12(10-23-15)14(20)17(4-6-21-2)5-7-22-3/h8,12H,4-7,9-10H2,1-3H3
InChIKeyJQNJIWULEZOXJL-UHFFFAOYSA-N
XLogP0.40
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 50.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-methoxyethyl)-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The IUPAC name of N,N-bis(2-methoxyethyl)-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide (CID 90572331) is N,N-bis(2-methoxyethyl)-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide.
What is the SMILES notation for N,N-bis(2-methoxyethyl)-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The canonical SMILES for N,N-bis(2-methoxyethyl)-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide is COCCN(CCOC)C(=O)C1CSc2ncc(C)c(=O)n2C1.
What is the InChIKey of N,N-bis(2-methoxyethyl)-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The InChIKey is JQNJIWULEZOXJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O4S/c1-11-8-16-15-18(13(11)19)9-12(10-23-15)14(20)17(4-6-21-2)5-7-22-3/h8,12H,4-7,9-10H2,1-3H3.
What are the key properties of N,N-bis(2-methoxyethyl)-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
N,N-bis(2-methoxyethyl)-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide has a molecular weight of 341.43 g/mol, XLogP of 0.40, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-methoxyethyl)-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide is sourced from PubChem (CID 90572331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).