4-morpholin-4-yl-N-[3-(1-oxo-6,7,9,9a-tetrahydro-2H-[1,4]thiazino[4,3-d][1,2,4]triazin-4-yl)phenyl]butanamide

C20H27N5O3S — CID 87217742

IUPAC4-morpholin-4-yl-N-[3-(1-oxo-6,7,9,9a-tetrahydro-2H-[1,4]thiazino[4,3-d][1,2,4]triazin-4-yl)phenyl]butanamide
SMILESO=C(CCCN1CCOCC1)Nc1cccc(C2=NNC(=O)C3CSCCN23)c1
InChIInChI=1S/C20H27N5O3S/c26-18(5-2-6-24-7-10-28-11-8-24)21-16-4-1-3-15(13-16)19-22-23-20(27)17-14-29-12-9-25(17)19/h1,3-4,13,17H,2,5-12,14H2,(H,21,26)(H,23,27)
InChIKeyKVNDWGKFYPMGDG-UHFFFAOYSA-N
MW417.54 g/mol
LogP0.95
Rot. Bonds6

About 4-morpholin-4-yl-N-[3-(1-oxo-6,7,9,9a-tetrahydro-2H-[1,4]thiazino[4,3-d][1,2,4]triazin-4-yl)phenyl]butanamide

4-morpholin-4-yl-N-[3-(1-oxo-6,7,9,9a-tetrahydro-2H-[1,4]thiazino[4,3-d][1,2,4]triazin-4-yl)phenyl]butanamide (PubChem CID 87217742) has the molecular formula C20H27N5O3S and a molecular weight of 417.54 g/mol. Its IUPAC name is 4-morpholin-4-yl-N-[3-(1-oxo-6,7,9,9a-tetrahydro-2H-[1,4]thiazino[4,3-d][1,2,4]triazin-4-yl)phenyl]butanamide.

Molecular Properties

Compound Name4-morpholin-4-yl-N-[3-(1-oxo-6,7,9,9a-tetrahydro-2H-[1,4]thiazino[4,3-d][1,2,4]triazin-4-yl)phenyl]butanamide
PubChem CID87217742
Molecular FormulaC20H27N5O3S
Molecular Weight417.54 g/mol
Exact Mass417.18
IUPAC Name4-morpholin-4-yl-N-[3-(1-oxo-6,7,9,9a-tetrahydro-2H-[1,4]thiazino[4,3-d][1,2,4]triazin-4-yl)phenyl]butanamide
SMILESO=C(CCCN1CCOCC1)Nc1cccc(C2=NNC(=O)C3CSCCN23)c1
InChIInChI=1S/C20H27N5O3S/c26-18(5-2-6-24-7-10-28-11-8-24)21-16-4-1-3-15(13-16)19-22-23-20(27)17-14-29-12-9-25(17)19/h1,3-4,13,17H,2,5-12,14H2,(H,21,26)(H,23,27)
InChIKeyKVNDWGKFYPMGDG-UHFFFAOYSA-N
XLogP0.95
TPSA86.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.54
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-morpholin-4-yl-N-[3-(1-oxo-6,7,9,9a-tetrahydro-2H-[1,4]thiazino[4,3-d][1,2,4]triazin-4-yl)phenyl]butanamide with MolForge

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Related Compounds

methanesulfonic acid;4-morpholin-4-yl-N-[3-(1-oxo-6,7,9,9a-tetrahydro-2H-[1,4]thiazino[4,3-d][1,2,4]triazin-4-yl)phenyl]butanamide
CID 87217741
benzyl N-methyl-N-[5-oxo-5-[3-(1-oxo-6,7,9,9a-tetrahydro-2H-[1,4]thiazino[4,3-d][1,2,4]triazin-4-yl)anilino]pentyl]carbamate
CID 66966374
N-[3-(3,4-dihydrophthalazin-1-yl)phenyl]-4-morpholin-4-ylbutanamide
CID 139905676
N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]-5-thiomorpholin-4-ylpentanamide
CID 23449742
3-morpholin-4-yl-N-[3-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)phenyl]propanamide
CID 66965535
N-(9H-carbazol-2-yl)-4-morpholin-4-ylbutanamide
CID 91294908
N-(4-aminophenyl)-4-morpholin-4-ylbutanamide
CID 16779642
2-morpholin-4-yl-N-[3-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]acetamide
CID 146124344
5-(methylamino)-N-[3-(1-oxo-6,7-dihydro-2H-[1,4]thiazino[4,3-d][1,2,4]triazin-4-yl)phenyl]pentanamide;hydrochloride
CID 66966010
N-[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]-4-morpholin-4-ylbutanamide
CID 25029480
N-[3-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)phenyl]-6-pyrrolidin-1-ylhexanamide
CID 10150883
2-(2-morpholin-4-ylethylsulfanyl)-N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]acetamide
CID 23449429

Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-yl-N-[3-(1-oxo-6,7,9,9a-tetrahydro-2H-[1,4]thiazino[4,3-d][1,2,4]triazin-4-yl)phenyl]butanamide?
The IUPAC name of 4-morpholin-4-yl-N-[3-(1-oxo-6,7,9,9a-tetrahydro-2H-[1,4]thiazino[4,3-d][1,2,4]triazin-4-yl)phenyl]butanamide (CID 87217742) is 4-morpholin-4-yl-N-[3-(1-oxo-6,7,9,9a-tetrahydro-2H-[1,4]thiazino[4,3-d][1,2,4]triazin-4-yl)phenyl]butanamide.
What is the SMILES notation for 4-morpholin-4-yl-N-[3-(1-oxo-6,7,9,9a-tetrahydro-2H-[1,4]thiazino[4,3-d][1,2,4]triazin-4-yl)phenyl]butanamide?
The canonical SMILES for 4-morpholin-4-yl-N-[3-(1-oxo-6,7,9,9a-tetrahydro-2H-[1,4]thiazino[4,3-d][1,2,4]triazin-4-yl)phenyl]butanamide is O=C(CCCN1CCOCC1)Nc1cccc(C2=NNC(=O)C3CSCCN23)c1.
What is the InChIKey of 4-morpholin-4-yl-N-[3-(1-oxo-6,7,9,9a-tetrahydro-2H-[1,4]thiazino[4,3-d][1,2,4]triazin-4-yl)phenyl]butanamide?
The InChIKey is KVNDWGKFYPMGDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O3S/c26-18(5-2-6-24-7-10-28-11-8-24)21-16-4-1-3-15(13-16)19-22-23-20(27)17-14-29-12-9-25(17)19/h1,3-4,13,17H,2,5-12,14H2,(H,21,26)(H,23,27).
What are the key properties of 4-morpholin-4-yl-N-[3-(1-oxo-6,7,9,9a-tetrahydro-2H-[1,4]thiazino[4,3-d][1,2,4]triazin-4-yl)phenyl]butanamide?
4-morpholin-4-yl-N-[3-(1-oxo-6,7,9,9a-tetrahydro-2H-[1,4]thiazino[4,3-d][1,2,4]triazin-4-yl)phenyl]butanamide has a molecular weight of 417.54 g/mol, XLogP of 0.95, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-yl-N-[3-(1-oxo-6,7,9,9a-tetrahydro-2H-[1,4]thiazino[4,3-d][1,2,4]triazin-4-yl)phenyl]butanamide is sourced from PubChem (CID 87217742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).