N-[3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]phenyl]-2-morpholin-4-ylacetamide

C21H20FN3O2S — CID 17460356

IUPACN-[3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]phenyl]-2-morpholin-4-ylacetamide
SMILESO=C(CN1CCOCC1)Nc1cccc(-c2nc(-c3ccc(F)cc3)cs2)c1
InChIInChI=1S/C21H20FN3O2S/c22-17-6-4-15(5-7-17)19-14-28-21(24-19)16-2-1-3-18(12-16)23-20(26)13-25-8-10-27-11-9-25/h1-7,12,14H,8-11,13H2,(H,23,26)
InChIKeyLPECKNPRZYOFNN-UHFFFAOYSA-N
MW397.48 g/mol
LogP3.89
Rot. Bonds5

About N-[3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]phenyl]-2-morpholin-4-ylacetamide

N-[3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]phenyl]-2-morpholin-4-ylacetamide (PubChem CID 17460356) has the molecular formula C21H20FN3O2S and a molecular weight of 397.48 g/mol. Its IUPAC name is N-[3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]phenyl]-2-morpholin-4-ylacetamide.

Molecular Properties

Compound NameN-[3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]phenyl]-2-morpholin-4-ylacetamide
PubChem CID17460356
Molecular FormulaC21H20FN3O2S
Molecular Weight397.48 g/mol
Exact Mass397.13
IUPAC NameN-[3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]phenyl]-2-morpholin-4-ylacetamide
SMILESO=C(CN1CCOCC1)Nc1cccc(-c2nc(-c3ccc(F)cc3)cs2)c1
InChIInChI=1S/C21H20FN3O2S/c22-17-6-4-15(5-7-17)19-14-28-21(24-19)16-2-1-3-18(12-16)23-20(26)13-25-8-10-27-11-9-25/h1-7,12,14H,8-11,13H2,(H,23,26)
InChIKeyLPECKNPRZYOFNN-UHFFFAOYSA-N
XLogP3.89
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]phenyl]-2-morpholin-4-ylacetamide
CID 9422328
N-[3-[2-(benzylcarbamoylamino)-1,3-thiazol-4-yl]phenyl]-2-morpholin-4-ylacetamide
CID 161042994
N-[4-[3-[(2-morpholin-4-ylacetyl)amino]phenyl]-1,3-thiazol-2-yl]cyclohexanecarboxamide
CID 164890391
N-[3-[2-[(3,4-dichlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]phenyl]-2-morpholin-4-ylacetamide
CID 157411680
2-[2-[3-[(2-pyrrolidin-1-ylacetyl)amino]phenyl]-1,3-thiazol-4-yl]acetic acid
CID 39159621
2-(2,4-difluorophenyl)-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 122286179
2-morpholin-4-yl-N-[3-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]acetamide
CID 146124344
2-morpholin-4-yl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide
CID 110444257
N-[2-fluoro-5-[4-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]-1,3-thiazol-2-yl]phenyl]-2-morpholin-4-ylacetamide
CID 71104863
N-[4-[2-(3-acetamidophenyl)-1,3-thiazol-4-yl]phenyl]propanamide
CID 122159689
N-(1,3-benzodioxol-5-yl)-2-[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]acetamide
CID 647105
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylacetamide
CID 3218991

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]phenyl]-2-morpholin-4-ylacetamide?
The IUPAC name of N-[3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]phenyl]-2-morpholin-4-ylacetamide (CID 17460356) is N-[3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]phenyl]-2-morpholin-4-ylacetamide.
What is the SMILES notation for N-[3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]phenyl]-2-morpholin-4-ylacetamide?
The canonical SMILES for N-[3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]phenyl]-2-morpholin-4-ylacetamide is O=C(CN1CCOCC1)Nc1cccc(-c2nc(-c3ccc(F)cc3)cs2)c1.
What is the InChIKey of N-[3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]phenyl]-2-morpholin-4-ylacetamide?
The InChIKey is LPECKNPRZYOFNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O2S/c22-17-6-4-15(5-7-17)19-14-28-21(24-19)16-2-1-3-18(12-16)23-20(26)13-25-8-10-27-11-9-25/h1-7,12,14H,8-11,13H2,(H,23,26).
What are the key properties of N-[3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]phenyl]-2-morpholin-4-ylacetamide?
N-[3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]phenyl]-2-morpholin-4-ylacetamide has a molecular weight of 397.48 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]phenyl]-2-morpholin-4-ylacetamide is sourced from PubChem (CID 17460356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).