2-[4-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]phenoxy]-1-morpholin-4-ylethanone

C23H21F3N2O3S — CID 72947523

IUPAC2-[4-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]phenoxy]-1-morpholin-4-ylethanone
SMILESCc1nc(-c2ccc(C(F)(F)F)cc2)sc1-c1ccc(OCC(=O)N2CCOCC2)cc1
InChIInChI=1S/C23H21F3N2O3S/c1-15-21(32-22(27-15)17-2-6-18(7-3-17)23(24,25)26)16-4-8-19(9-5-16)31-14-20(29)28-10-12-30-13-11-28/h2-9H,10-14H2,1H3
InChIKeyDPMTXUJAACOGCB-UHFFFAOYSA-N
MW462.49 g/mol
LogP5.04
Rot. Bonds5

About 2-[4-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]phenoxy]-1-morpholin-4-ylethanone

2-[4-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]phenoxy]-1-morpholin-4-ylethanone (PubChem CID 72947523) has the molecular formula C23H21F3N2O3S and a molecular weight of 462.49 g/mol. Its IUPAC name is 2-[4-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]phenoxy]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[4-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]phenoxy]-1-morpholin-4-ylethanone
PubChem CID72947523
Molecular FormulaC23H21F3N2O3S
Molecular Weight462.49 g/mol
Exact Mass462.12
IUPAC Name2-[4-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]phenoxy]-1-morpholin-4-ylethanone
SMILESCc1nc(-c2ccc(C(F)(F)F)cc2)sc1-c1ccc(OCC(=O)N2CCOCC2)cc1
InChIInChI=1S/C23H21F3N2O3S/c1-15-21(32-22(27-15)17-2-6-18(7-3-17)23(24,25)26)16-4-8-19(9-5-16)31-14-20(29)28-10-12-30-13-11-28/h2-9H,10-14H2,1H3
InChIKeyDPMTXUJAACOGCB-UHFFFAOYSA-N
XLogP5.04
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.49
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[4-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]phenoxy]-1-morpholin-4-ylethanone with MolForge

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Related Compounds

2-[4-(4-methyl-2-phenyl-1,3-thiazol-5-yl)phenoxy]-1-(4-methylpiperazin-1-yl)ethanone
CID 72948129
2-(4-methylphenoxy)-1-morpholin-4-ylethanone
CID 674914
2-[4-(2-amino-5-methyl-1,3-thiazol-4-yl)phenoxy]-1-morpholin-4-ylethanone
CID 28856770
2-[4-(4-benzyl-1,3-oxazol-5-yl)phenoxy]-1-morpholin-4-ylethanone
CID 163306576
1-morpholin-4-yl-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethanone
CID 18152175
2-[4-[(E)-C-ethyl-N-[[4-(trifluoromethyl)phenyl]methoxy]carbonimidoyl]phenoxy]-1-morpholin-4-ylethanone
CID 90021079
1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-[4-(trifluoromethyl)phenoxy]ethanone
CID 7274685
morpholin-4-yl-[2-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-1,3-thiazol-4-yl]methanone
CID 42865751
[2-[4-(3-chloropropoxy)phenyl]-4-methyl-1,3-thiazol-5-yl]-morpholin-4-ylmethanone
CID 59457474
2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]-1-morpholin-4-ylethanone
CID 110329331
2-(4-hydroxyphenoxy)-1-morpholin-4-ylethanone
CID 43143408
N-methyl-2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]-N-(2-morpholin-4-yl-2-oxoethyl)acetamide
CID 9123633

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]phenoxy]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[4-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]phenoxy]-1-morpholin-4-ylethanone (CID 72947523) is 2-[4-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]phenoxy]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[4-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]phenoxy]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[4-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]phenoxy]-1-morpholin-4-ylethanone is Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1-c1ccc(OCC(=O)N2CCOCC2)cc1.
What is the InChIKey of 2-[4-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]phenoxy]-1-morpholin-4-ylethanone?
The InChIKey is DPMTXUJAACOGCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N2O3S/c1-15-21(32-22(27-15)17-2-6-18(7-3-17)23(24,25)26)16-4-8-19(9-5-16)31-14-20(29)28-10-12-30-13-11-28/h2-9H,10-14H2,1H3.
What are the key properties of 2-[4-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]phenoxy]-1-morpholin-4-ylethanone?
2-[4-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]phenoxy]-1-morpholin-4-ylethanone has a molecular weight of 462.49 g/mol, XLogP of 5.04, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]phenoxy]-1-morpholin-4-ylethanone is sourced from PubChem (CID 72947523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).