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

C14H21N3O4S — CID 90573343

IUPACN,N-bis(2-methoxyethyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
SMILESCOCCN(CCOC)C(=O)C1CSc2nccc(=O)n2C1
InChIInChI=1S/C14H21N3O4S/c1-20-7-5-16(6-8-21-2)13(19)11-9-17-12(18)3-4-15-14(17)22-10-11/h3-4,11H,5-10H2,1-2H3
InChIKeyWURWMPNELYXUHZ-UHFFFAOYSA-N
MW327.41 g/mol
LogP0.09
Rot. Bonds7

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

N,N-bis(2-methoxyethyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide (PubChem CID 90573343) has the molecular formula C14H21N3O4S and a molecular weight of 327.41 g/mol. Its IUPAC name is N,N-bis(2-methoxyethyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide.

Molecular Properties

Compound NameN,N-bis(2-methoxyethyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
PubChem CID90573343
Molecular FormulaC14H21N3O4S
Molecular Weight327.41 g/mol
Exact Mass327.13
IUPAC NameN,N-bis(2-methoxyethyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
SMILESCOCCN(CCOC)C(=O)C1CSc2nccc(=O)n2C1
InChIInChI=1S/C14H21N3O4S/c1-20-7-5-16(6-8-21-2)13(19)11-9-17-12(18)3-4-15-14(17)22-10-11/h3-4,11H,5-10H2,1-2H3
InChIKeyWURWMPNELYXUHZ-UHFFFAOYSA-N
XLogP0.09
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 50.09
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)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The IUPAC name of N,N-bis(2-methoxyethyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide (CID 90573343) is N,N-bis(2-methoxyethyl)-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)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The canonical SMILES for N,N-bis(2-methoxyethyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide is COCCN(CCOC)C(=O)C1CSc2nccc(=O)n2C1.
What is the InChIKey of N,N-bis(2-methoxyethyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The InChIKey is WURWMPNELYXUHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4S/c1-20-7-5-16(6-8-21-2)13(19)11-9-17-12(18)3-4-15-14(17)22-10-11/h3-4,11H,5-10H2,1-2H3.
What are the key properties of N,N-bis(2-methoxyethyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
N,N-bis(2-methoxyethyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide has a molecular weight of 327.41 g/mol, XLogP of 0.09, 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)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide is sourced from PubChem (CID 90573343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).