(2S)-2-[4-(difluoromethoxy)phenyl]-4-(1,3-thiazol-4-ylmethyl)morpholine

C15H16F2N2O2S — CID 124883890

IUPAC(2S)-2-[4-(difluoromethoxy)phenyl]-4-(1,3-thiazol-4-ylmethyl)morpholine
SMILESFC(F)Oc1ccc([C@H]2CN(Cc3cscn3)CCO2)cc1
InChIInChI=1S/C15H16F2N2O2S/c16-15(17)21-13-3-1-11(2-4-13)14-8-19(5-6-20-14)7-12-9-22-10-18-12/h1-4,9-10,14-15H,5-8H2/t14-/m1/s1
InChIKeySNSBSEWSCYMEOU-CQSZACIVSA-N
MW326.37 g/mol
LogP3.32
Rot. Bonds5

About (2S)-2-[4-(difluoromethoxy)phenyl]-4-(1,3-thiazol-4-ylmethyl)morpholine

(2S)-2-[4-(difluoromethoxy)phenyl]-4-(1,3-thiazol-4-ylmethyl)morpholine (PubChem CID 124883890) has the molecular formula C15H16F2N2O2S and a molecular weight of 326.37 g/mol. Its IUPAC name is (2S)-2-[4-(difluoromethoxy)phenyl]-4-(1,3-thiazol-4-ylmethyl)morpholine.

Molecular Properties

Compound Name(2S)-2-[4-(difluoromethoxy)phenyl]-4-(1,3-thiazol-4-ylmethyl)morpholine
PubChem CID124883890
Molecular FormulaC15H16F2N2O2S
Molecular Weight326.37 g/mol
Exact Mass326.09
IUPAC Name(2S)-2-[4-(difluoromethoxy)phenyl]-4-(1,3-thiazol-4-ylmethyl)morpholine
SMILESFC(F)Oc1ccc([C@H]2CN(Cc3cscn3)CCO2)cc1
InChIInChI=1S/C15H16F2N2O2S/c16-15(17)21-13-3-1-11(2-4-13)14-8-19(5-6-20-14)7-12-9-22-10-18-12/h1-4,9-10,14-15H,5-8H2/t14-/m1/s1
InChIKeySNSBSEWSCYMEOU-CQSZACIVSA-N
XLogP3.32
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-(2-chloro-4-fluorophenyl)-4-(1,3-thiazol-4-ylmethyl)morpholine
CID 124619828
[4-(1,3-thiazol-4-ylmethyl)morpholin-2-yl]methanol
CID 79833284
1-[2-[4-(difluoromethoxy)phenyl]morpholin-4-yl]-2-hydroxyethanone
CID 136545989
3-[[2-[3-(difluoromethoxy)phenyl]morpholin-4-yl]methyl]benzoic acid
CID 122029359
2-[4-(difluoromethoxy)phenyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)morpholine
CID 122132885
4-(5-chloro-2-methoxypyrimidin-4-yl)-2-[4-(difluoromethoxy)phenyl]morpholine
CID 138996348
(2R)-2-(3,4-difluorophenyl)-N-(1,3-thiazol-4-ylmethyl)morpholine-4-carboxamide
CID 95179186
(2S)-4-[(4-methoxyphenyl)methyl]-2-(4-phenylmethoxyphenyl)morpholine
CID 67352433
4-[[2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]methyl]-N-methyl-1,3-thiazol-2-amine
CID 56876335
(2S)-2-[3-(difluoromethoxy)phenyl]-4-(2-pyrazol-1-ylethyl)morpholine
CID 124571996
(2R)-4-(1,3-thiazol-5-ylmethyl)-2-[4-(trifluoromethyl)phenyl]morpholine
CID 124615184
5-[[2-(4-fluorophenyl)morpholin-4-yl]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120898617

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-(difluoromethoxy)phenyl]-4-(1,3-thiazol-4-ylmethyl)morpholine?
The IUPAC name of (2S)-2-[4-(difluoromethoxy)phenyl]-4-(1,3-thiazol-4-ylmethyl)morpholine (CID 124883890) is (2S)-2-[4-(difluoromethoxy)phenyl]-4-(1,3-thiazol-4-ylmethyl)morpholine.
What is the SMILES notation for (2S)-2-[4-(difluoromethoxy)phenyl]-4-(1,3-thiazol-4-ylmethyl)morpholine?
The canonical SMILES for (2S)-2-[4-(difluoromethoxy)phenyl]-4-(1,3-thiazol-4-ylmethyl)morpholine is FC(F)Oc1ccc([C@H]2CN(Cc3cscn3)CCO2)cc1.
What is the InChIKey of (2S)-2-[4-(difluoromethoxy)phenyl]-4-(1,3-thiazol-4-ylmethyl)morpholine?
The InChIKey is SNSBSEWSCYMEOU-CQSZACIVSA-N. The full InChI is InChI=1S/C15H16F2N2O2S/c16-15(17)21-13-3-1-11(2-4-13)14-8-19(5-6-20-14)7-12-9-22-10-18-12/h1-4,9-10,14-15H,5-8H2/t14-/m1/s1.
What are the key properties of (2S)-2-[4-(difluoromethoxy)phenyl]-4-(1,3-thiazol-4-ylmethyl)morpholine?
(2S)-2-[4-(difluoromethoxy)phenyl]-4-(1,3-thiazol-4-ylmethyl)morpholine has a molecular weight of 326.37 g/mol, XLogP of 3.32, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-(difluoromethoxy)phenyl]-4-(1,3-thiazol-4-ylmethyl)morpholine is sourced from PubChem (CID 124883890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).