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

C14H20N4O3S — CID 90573421

IUPACN-(2-morpholin-4-ylethyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
SMILESO=C(NCCN1CCOCC1)C1CSc2nccc(=O)n2C1
InChIInChI=1S/C14H20N4O3S/c19-12-1-2-16-14-18(12)9-11(10-22-14)13(20)15-3-4-17-5-7-21-8-6-17/h1-2,11H,3-10H2,(H,15,20)
InChIKeyKZHYWQDYGMUGLN-UHFFFAOYSA-N
MW324.41 g/mol
LogP-0.59
Rot. Bonds4

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

N-(2-morpholin-4-ylethyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide (PubChem CID 90573421) has the molecular formula C14H20N4O3S and a molecular weight of 324.41 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
PubChem CID90573421
Molecular FormulaC14H20N4O3S
Molecular Weight324.41 g/mol
Exact Mass324.13
IUPAC NameN-(2-morpholin-4-ylethyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
SMILESO=C(NCCN1CCOCC1)C1CSc2nccc(=O)n2C1
InChIInChI=1S/C14H20N4O3S/c19-12-1-2-16-14-18(12)9-11(10-22-14)13(20)15-3-4-17-5-7-21-8-6-17/h1-2,11H,3-10H2,(H,15,20)
InChIKeyKZHYWQDYGMUGLN-UHFFFAOYSA-N
XLogP-0.59
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 5-0.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylethyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The IUPAC name of N-(2-morpholin-4-ylethyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide (CID 90573421) is N-(2-morpholin-4-ylethyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The canonical SMILES for N-(2-morpholin-4-ylethyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide is O=C(NCCN1CCOCC1)C1CSc2nccc(=O)n2C1.
What is the InChIKey of N-(2-morpholin-4-ylethyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The InChIKey is KZHYWQDYGMUGLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3S/c19-12-1-2-16-14-18(12)9-11(10-22-14)13(20)15-3-4-17-5-7-21-8-6-17/h1-2,11H,3-10H2,(H,15,20).
What are the key properties of N-(2-morpholin-4-ylethyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
N-(2-morpholin-4-ylethyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide has a molecular weight of 324.41 g/mol, XLogP of -0.59, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylethyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide is sourced from PubChem (CID 90573421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).