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

C18H20F2N4O2S — CID 7199219

IUPAC5-[(S)-(3,4-difluorophenyl)-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
SMILESCc1nc2sc([C@H](c3ccc(F)c(F)c3)N3C[C@@H](C)O[C@H](C)C3)c(O)n2n1
InChIInChI=1S/C18H20F2N4O2S/c1-9-7-23(8-10(2)26-9)15(12-4-5-13(19)14(20)6-12)16-17(25)24-18(27-16)21-11(3)22-24/h4-6,9-10,15,25H,7-8H2,1-3H3/t9-,10-,15+/m1/s1
InChIKeyKBGHXNMBHPWURM-FCHSOHFDSA-N
MW394.45 g/mol
LogP3.28
Rot. Bonds3

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

5-[(S)-(3,4-difluorophenyl)-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol (PubChem CID 7199219) has the molecular formula C18H20F2N4O2S and a molecular weight of 394.45 g/mol. Its IUPAC name is 5-[(S)-(3,4-difluorophenyl)-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol.

Molecular Properties

Compound Name5-[(S)-(3,4-difluorophenyl)-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
PubChem CID7199219
Molecular FormulaC18H20F2N4O2S
Molecular Weight394.45 g/mol
Exact Mass394.13
IUPAC Name5-[(S)-(3,4-difluorophenyl)-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
SMILESCc1nc2sc([C@H](c3ccc(F)c(F)c3)N3C[C@@H](C)O[C@H](C)C3)c(O)n2n1
InChIInChI=1S/C18H20F2N4O2S/c1-9-7-23(8-10(2)26-9)15(12-4-5-13(19)14(20)6-12)16-17(25)24-18(27-16)21-11(3)22-24/h4-6,9-10,15,25H,7-8H2,1-3H3/t9-,10-,15+/m1/s1
InChIKeyKBGHXNMBHPWURM-FCHSOHFDSA-N
XLogP3.28
TPSA62.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(S)-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-(4-methylphenyl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 7102290
5-[(3,4-difluorophenyl)-pyrrolidin-1-ylmethyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 16807642
5-[(S)-(3,4-difluorophenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 30483664
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
5-[(S)-(4-benzylpiperidin-1-yl)-(3,4-difluorophenyl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 30483006
5-[(S)-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-(4-fluorophenyl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 7105128
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
5-[(S)-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-(4-methylphenyl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 7104806
5-[(S)-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-(4-propan-2-ylphenyl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 30880499
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)-(4-bromophenyl)-[(3S,5S)-3,5-dimethylpiperidin-1-yl]methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 30880322
5-[(S)-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-(3-fluorophenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 7172866

Frequently Asked Questions

What is the IUPAC name of 5-[(S)-(3,4-difluorophenyl)-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol?
The IUPAC name of 5-[(S)-(3,4-difluorophenyl)-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol (CID 7199219) is 5-[(S)-(3,4-difluorophenyl)-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol.
What is the SMILES notation for 5-[(S)-(3,4-difluorophenyl)-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol?
The canonical SMILES for 5-[(S)-(3,4-difluorophenyl)-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol is Cc1nc2sc([C@H](c3ccc(F)c(F)c3)N3C[C@@H](C)O[C@H](C)C3)c(O)n2n1.
What is the InChIKey of 5-[(S)-(3,4-difluorophenyl)-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol?
The InChIKey is KBGHXNMBHPWURM-FCHSOHFDSA-N. The full InChI is InChI=1S/C18H20F2N4O2S/c1-9-7-23(8-10(2)26-9)15(12-4-5-13(19)14(20)6-12)16-17(25)24-18(27-16)21-11(3)22-24/h4-6,9-10,15,25H,7-8H2,1-3H3/t9-,10-,15+/m1/s1.
What are the key properties of 5-[(S)-(3,4-difluorophenyl)-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol?
5-[(S)-(3,4-difluorophenyl)-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol has a molecular weight of 394.45 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(S)-(3,4-difluorophenyl)-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol is sourced from PubChem (CID 7199219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).