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

C15H18FN3O2S — CID 97353257

IUPAC(2R)-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-/m1/s1
InChIKeyIGAZFVCUGZMWPA-CYBMUJFWSA-N
MW323.39 g/mol
LogP2.12
Rot. Bonds5

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

(2R)-4-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-(methoxymethyl)morpholine (PubChem CID 97353257) has the molecular formula C15H18FN3O2S and a molecular weight of 323.39 g/mol. Its IUPAC name is (2R)-4-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-(methoxymethyl)morpholine.

Molecular Properties

Compound Name(2R)-4-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-(methoxymethyl)morpholine
PubChem CID97353257
Molecular FormulaC15H18FN3O2S
Molecular Weight323.39 g/mol
Exact Mass323.11
IUPAC Name(2R)-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-/m1/s1
InChIKeyIGAZFVCUGZMWPA-CYBMUJFWSA-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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Frequently Asked Questions

What is the IUPAC name of (2R)-4-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-(methoxymethyl)morpholine?
The IUPAC name of (2R)-4-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-(methoxymethyl)morpholine (CID 97353257) is (2R)-4-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-(methoxymethyl)morpholine.
What is the SMILES notation for (2R)-4-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-(methoxymethyl)morpholine?
The canonical SMILES for (2R)-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 (2R)-4-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-(methoxymethyl)morpholine?
The InChIKey is IGAZFVCUGZMWPA-CYBMUJFWSA-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-/m1/s1.
What are the key properties of (2R)-4-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-(methoxymethyl)morpholine?
(2R)-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 (2R)-4-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-(methoxymethyl)morpholine is sourced from PubChem (CID 97353257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).