(2R,6R)-2-(4-fluorophenyl)-6-methyl-4-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)morpholine

C18H17FN4OS — CID 100687721

IUPAC(2R,6R)-2-(4-fluorophenyl)-6-methyl-4-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)morpholine
SMILESC[C@@H]1CN(c2nnc(-c3ccccn3)s2)C[C@@H](c2ccc(F)cc2)O1
InChIInChI=1S/C18H17FN4OS/c1-12-10-23(11-16(24-12)13-5-7-14(19)8-6-13)18-22-21-17(25-18)15-4-2-3-9-20-15/h2-9,12,16H,10-11H2,1H3/t12-,16+/m1/s1
InChIKeyWFIHOPWVOCEBHE-WBMJQRKESA-N
MW356.43 g/mol
LogP3.71
Rot. Bonds3

About (2R,6R)-2-(4-fluorophenyl)-6-methyl-4-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)morpholine

(2R,6R)-2-(4-fluorophenyl)-6-methyl-4-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)morpholine (PubChem CID 100687721) has the molecular formula C18H17FN4OS and a molecular weight of 356.43 g/mol. Its IUPAC name is (2R,6R)-2-(4-fluorophenyl)-6-methyl-4-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)morpholine.

Molecular Properties

Compound Name(2R,6R)-2-(4-fluorophenyl)-6-methyl-4-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)morpholine
PubChem CID100687721
Molecular FormulaC18H17FN4OS
Molecular Weight356.43 g/mol
Exact Mass356.11
IUPAC Name(2R,6R)-2-(4-fluorophenyl)-6-methyl-4-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)morpholine
SMILESC[C@@H]1CN(c2nnc(-c3ccccn3)s2)C[C@@H](c2ccc(F)cc2)O1
InChIInChI=1S/C18H17FN4OS/c1-12-10-23(11-16(24-12)13-5-7-14(19)8-6-13)18-22-21-17(25-18)15-4-2-3-9-20-15/h2-9,12,16H,10-11H2,1H3/t12-,16+/m1/s1
InChIKeyWFIHOPWVOCEBHE-WBMJQRKESA-N
XLogP3.71
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2R,6R)-2-(4-fluorophenyl)-6-methyl-4-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)morpholine 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

4-(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)-2-(4-fluorophenyl)-6-methylmorpholine
CID 133330399
(2S,5S)-5-methyl-2-phenyl-4-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)morpholine
CID 99836974
2-(4-fluorophenyl)-6-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]morpholine
CID 133330469
1-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)azetidine-3-carboxylic acid
CID 122064429
2-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]pyridine-3-carbonitrile
CID 133330522
2-[(3S)-3-(4-methoxyphenyl)pyrrolidin-1-yl]-5-pyridin-2-yl-1,3,4-thiadiazole
CID 99822591
2-[(3S,4S)-4-methyl-1-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidin-3-yl]acetic acid
CID 154771477
2-(4-methylsulfonylpiperazin-1-yl)-5-pyridin-2-yl-1,3,4-thiadiazole
CID 133467685
1-(4-fluorophenyl)-3-[1-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidin-3-yl]urea
CID 133443158
2-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]-1,3-benzoxazole
CID 133330508
2-[(2R,4R)-2-(4-methoxyphenyl)-4-methylpyrrolidin-1-yl]-5-pyridin-2-yl-1,3,4-thiadiazole
CID 124863673
4-(6-chloropyrazin-2-yl)-2-(4-fluorophenyl)-6-methylmorpholine
CID 133330542

Frequently Asked Questions

What is the IUPAC name of (2R,6R)-2-(4-fluorophenyl)-6-methyl-4-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)morpholine?
The IUPAC name of (2R,6R)-2-(4-fluorophenyl)-6-methyl-4-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)morpholine (CID 100687721) is (2R,6R)-2-(4-fluorophenyl)-6-methyl-4-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)morpholine.
What is the SMILES notation for (2R,6R)-2-(4-fluorophenyl)-6-methyl-4-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)morpholine?
The canonical SMILES for (2R,6R)-2-(4-fluorophenyl)-6-methyl-4-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)morpholine is C[C@@H]1CN(c2nnc(-c3ccccn3)s2)C[C@@H](c2ccc(F)cc2)O1.
What is the InChIKey of (2R,6R)-2-(4-fluorophenyl)-6-methyl-4-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)morpholine?
The InChIKey is WFIHOPWVOCEBHE-WBMJQRKESA-N. The full InChI is InChI=1S/C18H17FN4OS/c1-12-10-23(11-16(24-12)13-5-7-14(19)8-6-13)18-22-21-17(25-18)15-4-2-3-9-20-15/h2-9,12,16H,10-11H2,1H3/t12-,16+/m1/s1.
What are the key properties of (2R,6R)-2-(4-fluorophenyl)-6-methyl-4-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)morpholine?
(2R,6R)-2-(4-fluorophenyl)-6-methyl-4-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)morpholine has a molecular weight of 356.43 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R)-2-(4-fluorophenyl)-6-methyl-4-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)morpholine is sourced from PubChem (CID 100687721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).