2-(3-fluorophenyl)-N-[[(2R)-4-methylmorpholin-2-yl]methyl]-N-(1,3-thiazol-2-yl)acetamide

C17H20FN3O2S — CID 97217269

IUPAC2-(3-fluorophenyl)-N-[[(2R)-4-methylmorpholin-2-yl]methyl]-N-(1,3-thiazol-2-yl)acetamide
SMILESCN1CCO[C@@H](CN(C(=O)Cc2cccc(F)c2)c2nccs2)C1
InChIInChI=1S/C17H20FN3O2S/c1-20-6-7-23-15(11-20)12-21(17-19-5-8-24-17)16(22)10-13-3-2-4-14(18)9-13/h2-5,8-9,15H,6-7,10-12H2,1H3/t15-/m1/s1
InChIKeyBDHRBGYWRJTASJ-OAHLLOKOSA-N
MW349.43 g/mol
LogP2.19
Rot. Bonds5

About 2-(3-fluorophenyl)-N-[[(2R)-4-methylmorpholin-2-yl]methyl]-N-(1,3-thiazol-2-yl)acetamide

2-(3-fluorophenyl)-N-[[(2R)-4-methylmorpholin-2-yl]methyl]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 97217269) has the molecular formula C17H20FN3O2S and a molecular weight of 349.43 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-N-[[(2R)-4-methylmorpholin-2-yl]methyl]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(3-fluorophenyl)-N-[[(2R)-4-methylmorpholin-2-yl]methyl]-N-(1,3-thiazol-2-yl)acetamide
PubChem CID97217269
Molecular FormulaC17H20FN3O2S
Molecular Weight349.43 g/mol
Exact Mass349.13
IUPAC Name2-(3-fluorophenyl)-N-[[(2R)-4-methylmorpholin-2-yl]methyl]-N-(1,3-thiazol-2-yl)acetamide
SMILESCN1CCO[C@@H](CN(C(=O)Cc2cccc(F)c2)c2nccs2)C1
InChIInChI=1S/C17H20FN3O2S/c1-20-6-7-23-15(11-20)12-21(17-19-5-8-24-17)16(22)10-13-3-2-4-14(18)9-13/h2-5,8-9,15H,6-7,10-12H2,1H3/t15-/m1/s1
InChIKeyBDHRBGYWRJTASJ-OAHLLOKOSA-N
XLogP2.19
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[(2R)-4-methylmorpholin-2-yl]methyl]-2-(3-methylphenyl)-N-(1,3-thiazol-2-yl)acetamide
CID 97072251
N-[(4-methylmorpholin-2-yl)methyl]-2-(4-methylphenyl)-N-(1,3-thiazol-2-yl)acetamide
CID 75373711
N-[(4-methylmorpholin-2-yl)methyl]-2-(1-methylpyrazol-4-yl)-N-(1,3-thiazol-2-yl)acetamide
CID 154749160
2-cyclopentyl-N-[[(2S)-4-methylmorpholin-2-yl]methyl]-N-(1,3-thiazol-2-yl)acetamide
CID 97217264
N-[[(2S)-4-methylmorpholin-2-yl]methyl]-2-(2-oxopyrrolidin-1-yl)-N-(1,3-thiazol-2-yl)acetamide
CID 97062168
3-ethoxy-N-[[(2R)-4-methylmorpholin-2-yl]methyl]-N-(1,3-thiazol-2-yl)propanamide
CID 97217221
N-[(4-methylmorpholin-2-yl)methyl]-4-pyrazol-1-yl-N-(1,3-thiazol-2-yl)butanamide
CID 71929003
2-(3-chlorophenyl)-N-methyl-N-[(4-methylmorpholin-2-yl)methyl]acetamide
CID 110710564
N-methyl-N-[(4-methylmorpholin-2-yl)methyl]-2-(3-methylphenyl)acetamide
CID 110710559
1-benzyl-3-[[(2S)-4-methylmorpholin-2-yl]methyl]-1-(1,3-thiazol-2-ylmethyl)urea
CID 125436994
2-(3-fluorophenyl)-N-methyl-N-(oxolan-2-ylmethyl)acetamide
CID 110733180
N-(cyclopropylmethyl)-4-fluoro-2-methyl-N-[[(2R)-4-methylmorpholin-2-yl]methyl]benzamide
CID 129478586

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-N-[[(2R)-4-methylmorpholin-2-yl]methyl]-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(3-fluorophenyl)-N-[[(2R)-4-methylmorpholin-2-yl]methyl]-N-(1,3-thiazol-2-yl)acetamide (CID 97217269) is 2-(3-fluorophenyl)-N-[[(2R)-4-methylmorpholin-2-yl]methyl]-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(3-fluorophenyl)-N-[[(2R)-4-methylmorpholin-2-yl]methyl]-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(3-fluorophenyl)-N-[[(2R)-4-methylmorpholin-2-yl]methyl]-N-(1,3-thiazol-2-yl)acetamide is CN1CCO[C@@H](CN(C(=O)Cc2cccc(F)c2)c2nccs2)C1.
What is the InChIKey of 2-(3-fluorophenyl)-N-[[(2R)-4-methylmorpholin-2-yl]methyl]-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is BDHRBGYWRJTASJ-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H20FN3O2S/c1-20-6-7-23-15(11-20)12-21(17-19-5-8-24-17)16(22)10-13-3-2-4-14(18)9-13/h2-5,8-9,15H,6-7,10-12H2,1H3/t15-/m1/s1.
What are the key properties of 2-(3-fluorophenyl)-N-[[(2R)-4-methylmorpholin-2-yl]methyl]-N-(1,3-thiazol-2-yl)acetamide?
2-(3-fluorophenyl)-N-[[(2R)-4-methylmorpholin-2-yl]methyl]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 349.43 g/mol, XLogP of 2.19, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-N-[[(2R)-4-methylmorpholin-2-yl]methyl]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 97217269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).