5-ethyl-3-(2-morpholin-4-yl-1,3-thiazol-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine

C14H19N5O2S — CID 138379964

IUPAC5-ethyl-3-(2-morpholin-4-yl-1,3-thiazol-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine
SMILESCCC1COCc2nnc(-c3csc(N4CCOCC4)n3)n21
InChIInChI=1S/C14H19N5O2S/c1-2-10-7-21-8-12-16-17-13(19(10)12)11-9-22-14(15-11)18-3-5-20-6-4-18/h9-10H,2-8H2,1H3
InChIKeySANBOMCSZBYADV-UHFFFAOYSA-N
MW321.41 g/mol
LogP1.72
Rot. Bonds3

About 5-ethyl-3-(2-morpholin-4-yl-1,3-thiazol-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine

5-ethyl-3-(2-morpholin-4-yl-1,3-thiazol-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine (PubChem CID 138379964) has the molecular formula C14H19N5O2S and a molecular weight of 321.41 g/mol. Its IUPAC name is 5-ethyl-3-(2-morpholin-4-yl-1,3-thiazol-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine.

Molecular Properties

Compound Name5-ethyl-3-(2-morpholin-4-yl-1,3-thiazol-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine
PubChem CID138379964
Molecular FormulaC14H19N5O2S
Molecular Weight321.41 g/mol
Exact Mass321.13
IUPAC Name5-ethyl-3-(2-morpholin-4-yl-1,3-thiazol-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine
SMILESCCC1COCc2nnc(-c3csc(N4CCOCC4)n3)n21
InChIInChI=1S/C14H19N5O2S/c1-2-10-7-21-8-12-16-17-13(19(10)12)11-9-22-14(15-11)18-3-5-20-6-4-18/h9-10H,2-8H2,1H3
InChIKeySANBOMCSZBYADV-UHFFFAOYSA-N
XLogP1.72
TPSA65.30 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.41
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

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(5S)-5-benzyl-7-methyl-3-(2-morpholin-4-yl-1,3-thiazol-4-yl)-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one
CID 165419847
(5R)-5-benzyl-7-methyl-3-(2-morpholin-4-yl-1,3-thiazol-4-yl)-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one
CID 164690921
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CID 139599301
N-ethyl-5-(2-morpholin-4-yl-1,3-thiazol-4-yl)-1,3,4-thiadiazol-2-amine
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4-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]morpholine
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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-(2-morpholin-4-yl-1,3-thiazol-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine?
The IUPAC name of 5-ethyl-3-(2-morpholin-4-yl-1,3-thiazol-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine (CID 138379964) is 5-ethyl-3-(2-morpholin-4-yl-1,3-thiazol-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine.
What is the SMILES notation for 5-ethyl-3-(2-morpholin-4-yl-1,3-thiazol-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine?
The canonical SMILES for 5-ethyl-3-(2-morpholin-4-yl-1,3-thiazol-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine is CCC1COCc2nnc(-c3csc(N4CCOCC4)n3)n21.
What is the InChIKey of 5-ethyl-3-(2-morpholin-4-yl-1,3-thiazol-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine?
The InChIKey is SANBOMCSZBYADV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2S/c1-2-10-7-21-8-12-16-17-13(19(10)12)11-9-22-14(15-11)18-3-5-20-6-4-18/h9-10H,2-8H2,1H3.
What are the key properties of 5-ethyl-3-(2-morpholin-4-yl-1,3-thiazol-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine?
5-ethyl-3-(2-morpholin-4-yl-1,3-thiazol-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine has a molecular weight of 321.41 g/mol, XLogP of 1.72, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-(2-morpholin-4-yl-1,3-thiazol-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine is sourced from PubChem (CID 138379964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).