5-[(R)-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-(2-fluorophenyl)methyl]-2-ethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol

C19H23FN4O2S — CID 7294146

IUPAC5-[(R)-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-(2-fluorophenyl)methyl]-2-ethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
SMILESCCc1nc2sc([C@@H](c3ccccc3F)N3C[C@@H](C)O[C@@H](C)C3)c(O)n2n1
InChIInChI=1S/C19H23FN4O2S/c1-4-15-21-19-24(22-15)18(25)17(27-19)16(13-7-5-6-8-14(13)20)23-9-11(2)26-12(3)10-23/h5-8,11-12,16,25H,4,9-10H2,1-3H3/t11-,12+,16-/m1/s1
InChIKeyDUUHXLWTQODZGC-BFQNTYOBSA-N
MW390.48 g/mol
LogP3.40
Rot. Bonds4

About 5-[(R)-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-(2-fluorophenyl)methyl]-2-ethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol

5-[(R)-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-(2-fluorophenyl)methyl]-2-ethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol (PubChem CID 7294146) has the molecular formula C19H23FN4O2S and a molecular weight of 390.48 g/mol. Its IUPAC name is 5-[(R)-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-(2-fluorophenyl)methyl]-2-ethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol.

Molecular Properties

Compound Name5-[(R)-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-(2-fluorophenyl)methyl]-2-ethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
PubChem CID7294146
Molecular FormulaC19H23FN4O2S
Molecular Weight390.48 g/mol
Exact Mass390.15
IUPAC Name5-[(R)-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-(2-fluorophenyl)methyl]-2-ethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
SMILESCCc1nc2sc([C@@H](c3ccccc3F)N3C[C@@H](C)O[C@@H](C)C3)c(O)n2n1
InChIInChI=1S/C19H23FN4O2S/c1-4-15-21-19-24(22-15)18(25)17(27-19)16(13-7-5-6-8-14(13)20)23-9-11(2)26-12(3)10-23/h5-8,11-12,16,25H,4,9-10H2,1-3H3/t11-,12+,16-/m1/s1
InChIKeyDUUHXLWTQODZGC-BFQNTYOBSA-N
XLogP3.40
TPSA62.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-[(R)-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-(2-fluorophenyl)methyl]-2-ethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol with MolForge

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Related Compounds

2-ethyl-5-[(R)-(2-fluorophenyl)-pyrrolidin-1-ylmethyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 7293482
5-[(S)-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-(4-methylphenyl)methyl]-2-ethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 7294167
2-ethyl-5-[(S)-(2-fluorophenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 30677679
2-ethyl-5-[(R)-(4-ethylpiperazin-1-yl)-(2-fluorophenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 7294277
5-[(S)-1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2-fluorophenyl)methyl]-2-ethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 7294017
5-[(S)-(3-chlorophenyl)-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-2-ethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 7294142
5-[(S)-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-(3-methoxyphenyl)methyl]-2-ethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 27280508
5-[(2-chlorophenyl)-(3,5-dimethylpiperidin-1-yl)methyl]-2-ethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 16810553
5-[(R)-(2-chlorophenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methyl]-2-ethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 30677670
5-[(R)-(2-chlorophenyl)-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 7199213
2-ethyl-5-[(R)-(2-fluorophenyl)-piperidin-1-ium-1-ylmethyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 7293569
5-[(S)-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-(4-methylphenyl)methyl]-2-ethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 27280414

Frequently Asked Questions

What is the IUPAC name of 5-[(R)-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-(2-fluorophenyl)methyl]-2-ethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol?
The IUPAC name of 5-[(R)-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-(2-fluorophenyl)methyl]-2-ethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol (CID 7294146) is 5-[(R)-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-(2-fluorophenyl)methyl]-2-ethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol.
What is the SMILES notation for 5-[(R)-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-(2-fluorophenyl)methyl]-2-ethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol?
The canonical SMILES for 5-[(R)-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-(2-fluorophenyl)methyl]-2-ethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol is CCc1nc2sc([C@@H](c3ccccc3F)N3C[C@@H](C)O[C@@H](C)C3)c(O)n2n1.
What is the InChIKey of 5-[(R)-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-(2-fluorophenyl)methyl]-2-ethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol?
The InChIKey is DUUHXLWTQODZGC-BFQNTYOBSA-N. The full InChI is InChI=1S/C19H23FN4O2S/c1-4-15-21-19-24(22-15)18(25)17(27-19)16(13-7-5-6-8-14(13)20)23-9-11(2)26-12(3)10-23/h5-8,11-12,16,25H,4,9-10H2,1-3H3/t11-,12+,16-/m1/s1.
What are the key properties of 5-[(R)-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-(2-fluorophenyl)methyl]-2-ethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol?
5-[(R)-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-(2-fluorophenyl)methyl]-2-ethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol has a molecular weight of 390.48 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(R)-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-(2-fluorophenyl)methyl]-2-ethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol is sourced from PubChem (CID 7294146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).