(2S)-4-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-(methoxymethyl)morpholine

C15H18FN3O2S — CID 97353256

IUPAC(2S)-4-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-(methoxymethyl)morpholine
SMILESCOC[C@@H]1CN(c2nnc(Cc3ccc(F)cc3)s2)CCO1
InChIInChI=1S/C15H18FN3O2S/c1-20-10-13-9-19(6-7-21-13)15-18-17-14(22-15)8-11-2-4-12(16)5-3-11/h2-5,13H,6-10H2,1H3/t13-/m0/s1
InChIKeyIGAZFVCUGZMWPA-ZDUSSCGKSA-N
MW323.39 g/mol
LogP2.12
Rot. Bonds5

About (2S)-4-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-(methoxymethyl)morpholine

(2S)-4-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-(methoxymethyl)morpholine (PubChem CID 97353256) has the molecular formula C15H18FN3O2S and a molecular weight of 323.39 g/mol. Its IUPAC name is (2S)-4-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-(methoxymethyl)morpholine.

Molecular Properties

Compound Name(2S)-4-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-(methoxymethyl)morpholine
PubChem CID97353256
Molecular FormulaC15H18FN3O2S
Molecular Weight323.39 g/mol
Exact Mass323.11
IUPAC Name(2S)-4-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-(methoxymethyl)morpholine
SMILESCOC[C@@H]1CN(c2nnc(Cc3ccc(F)cc3)s2)CCO1
InChIInChI=1S/C15H18FN3O2S/c1-20-10-13-9-19(6-7-21-13)15-18-17-14(22-15)8-11-2-4-12(16)5-3-11/h2-5,13H,6-10H2,1H3/t13-/m0/s1
InChIKeyIGAZFVCUGZMWPA-ZDUSSCGKSA-N
XLogP2.12
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2,6-Dimethylmorpholin-4-YL)-N-{5-[(3-fluorophenyl)methyl]-1,3,4-thiadiazol-2-YL}acetamide
CID 16677952
N-methyl-N-(3-morpholin-4-ylpropyl)-5-phenyl-1,3,4-thiadiazol-2-amine
CID 131930843
2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-[5-[(3-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 51593286
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[5-[(3-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 51593287
2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-N-[5-[(3-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 51593288
4-[3-(dimethylamino)propoxy]-N-[5-[(3-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperidine-1-carboxamide
CID 71857106
4-[5-[(4-Fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-(methoxymethyl)morpholine
CID 75456473
2-[(4-Fluorophenyl)methyl]-5-[4-(2-methoxyethyl)piperazin-1-yl]-1,3,4-thiadiazole
CID 75477438
[4-[5-[(4-Fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]morpholin-2-yl]methanol
CID 75521241
4-[5-[(4-Fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-(oxolan-2-yl)morpholine
CID 75521244
4-[5-[(4-Fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-1,9-dioxa-4-azaspiro[5.5]undecane
CID 75521245
1-[5-[(4-Fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-4-methylpiperidin-3-ol
CID 86789266

Frequently Asked Questions

What is the IUPAC name of (2S)-4-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-(methoxymethyl)morpholine?
The IUPAC name of (2S)-4-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-(methoxymethyl)morpholine (CID 97353256) is (2S)-4-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-(methoxymethyl)morpholine.
What is the SMILES notation for (2S)-4-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-(methoxymethyl)morpholine?
The canonical SMILES for (2S)-4-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-(methoxymethyl)morpholine is COC[C@@H]1CN(c2nnc(Cc3ccc(F)cc3)s2)CCO1.
What is the InChIKey of (2S)-4-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-(methoxymethyl)morpholine?
The InChIKey is IGAZFVCUGZMWPA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H18FN3O2S/c1-20-10-13-9-19(6-7-21-13)15-18-17-14(22-15)8-11-2-4-12(16)5-3-11/h2-5,13H,6-10H2,1H3/t13-/m0/s1.
What are the key properties of (2S)-4-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-(methoxymethyl)morpholine?
(2S)-4-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-(methoxymethyl)morpholine has a molecular weight of 323.39 g/mol, XLogP of 2.12, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-(methoxymethyl)morpholine is sourced from PubChem (CID 97353256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).