N-ethyl-N-[4-[[(2S)-2-(4-fluorophenyl)morpholin-4-yl]methyl]-1,3-thiazol-2-yl]acetamide

C18H22FN3O2S — CID 36738743

IUPACN-ethyl-N-[4-[[(2S)-2-(4-fluorophenyl)morpholin-4-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCCN(C(C)=O)c1nc(CN2CCO[C@@H](c3ccc(F)cc3)C2)cs1
InChIInChI=1S/C18H22FN3O2S/c1-3-22(13(2)23)18-20-16(12-25-18)10-21-8-9-24-17(11-21)14-4-6-15(19)7-5-14/h4-7,12,17H,3,8-11H2,1-2H3/t17-/m1/s1
InChIKeyOHEFUJQGXMAWCF-QGZVFWFLSA-N
MW363.46 g/mol
LogP3.23
Rot. Bonds5

About N-ethyl-N-[4-[[(2S)-2-(4-fluorophenyl)morpholin-4-yl]methyl]-1,3-thiazol-2-yl]acetamide

N-ethyl-N-[4-[[(2S)-2-(4-fluorophenyl)morpholin-4-yl]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 36738743) has the molecular formula C18H22FN3O2S and a molecular weight of 363.46 g/mol. Its IUPAC name is N-ethyl-N-[4-[[(2S)-2-(4-fluorophenyl)morpholin-4-yl]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-ethyl-N-[4-[[(2S)-2-(4-fluorophenyl)morpholin-4-yl]methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID36738743
Molecular FormulaC18H22FN3O2S
Molecular Weight363.46 g/mol
Exact Mass363.14
IUPAC NameN-ethyl-N-[4-[[(2S)-2-(4-fluorophenyl)morpholin-4-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCCN(C(C)=O)c1nc(CN2CCO[C@@H](c3ccc(F)cc3)C2)cs1
InChIInChI=1S/C18H22FN3O2S/c1-3-22(13(2)23)18-20-16(12-25-18)10-21-8-9-24-17(11-21)14-4-6-15(19)7-5-14/h4-7,12,17H,3,8-11H2,1-2H3/t17-/m1/s1
InChIKeyOHEFUJQGXMAWCF-QGZVFWFLSA-N
XLogP3.23
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-N-[4-[[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 95279235
N-[4-[(3,4-dihydroxypyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]-N-ethylacetamide
CID 106672998
N-[4-[[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]methyl]-1,3-thiazol-2-yl]-N-ethylacetamide;hydrochloride
CID 120660844
N-[4-[(4-aminopiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-N-ethylacetamide
CID 43556565
N-ethyl-N-[4-[[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 97028668
N-ethyl-N-[4-[(3-hydroxy-3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 115874190
(2S)-2-(4-fluorophenyl)-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]morpholine
CID 36874411
2-[[2-(4-fluorophenyl)morpholin-4-yl]methyl]phenol
CID 154795509
N-ethyl-N-[4-[[3-(4-methylpyrazol-1-yl)azetidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 71878560
N-ethyl-N-[4-[[4-(thiophene-3-carbonyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 47054184
N-(2-cyanoethyl)-N-ethyl-2-[2-(4-fluorophenyl)morpholin-4-yl]acetamide
CID 119041162
2-(4-fluorophenyl)-4-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]morpholine
CID 135091119

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[4-[[(2S)-2-(4-fluorophenyl)morpholin-4-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-ethyl-N-[4-[[(2S)-2-(4-fluorophenyl)morpholin-4-yl]methyl]-1,3-thiazol-2-yl]acetamide (CID 36738743) is N-ethyl-N-[4-[[(2S)-2-(4-fluorophenyl)morpholin-4-yl]methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-ethyl-N-[4-[[(2S)-2-(4-fluorophenyl)morpholin-4-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-ethyl-N-[4-[[(2S)-2-(4-fluorophenyl)morpholin-4-yl]methyl]-1,3-thiazol-2-yl]acetamide is CCN(C(C)=O)c1nc(CN2CCO[C@@H](c3ccc(F)cc3)C2)cs1.
What is the InChIKey of N-ethyl-N-[4-[[(2S)-2-(4-fluorophenyl)morpholin-4-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is OHEFUJQGXMAWCF-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H22FN3O2S/c1-3-22(13(2)23)18-20-16(12-25-18)10-21-8-9-24-17(11-21)14-4-6-15(19)7-5-14/h4-7,12,17H,3,8-11H2,1-2H3/t17-/m1/s1.
What are the key properties of N-ethyl-N-[4-[[(2S)-2-(4-fluorophenyl)morpholin-4-yl]methyl]-1,3-thiazol-2-yl]acetamide?
N-ethyl-N-[4-[[(2S)-2-(4-fluorophenyl)morpholin-4-yl]methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 363.46 g/mol, XLogP of 3.23, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[4-[[(2S)-2-(4-fluorophenyl)morpholin-4-yl]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 36738743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).