morpholin-4-yl-[2-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-1,3-thiazol-4-yl]methanone

C22H19F3N2O3S — CID 42865751

IUPACmorpholin-4-yl-[2-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-1,3-thiazol-4-yl]methanone
SMILESO=C(c1csc(-c2ccc(OCc3ccc(C(F)(F)F)cc3)cc2)n1)N1CCOCC1
InChIInChI=1S/C22H19F3N2O3S/c23-22(24,25)17-5-1-15(2-6-17)13-30-18-7-3-16(4-8-18)20-26-19(14-31-20)21(28)27-9-11-29-12-10-27/h1-8,14H,9-13H2
InChIKeyHUKVLFHCCKPVOS-UHFFFAOYSA-N
MW448.47 g/mol
LogP4.88
Rot. Bonds5

About morpholin-4-yl-[2-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-1,3-thiazol-4-yl]methanone

morpholin-4-yl-[2-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-1,3-thiazol-4-yl]methanone (PubChem CID 42865751) has the molecular formula C22H19F3N2O3S and a molecular weight of 448.47 g/mol. Its IUPAC name is morpholin-4-yl-[2-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-1,3-thiazol-4-yl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[2-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-1,3-thiazol-4-yl]methanone
PubChem CID42865751
Molecular FormulaC22H19F3N2O3S
Molecular Weight448.47 g/mol
Exact Mass448.11
IUPAC Namemorpholin-4-yl-[2-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-1,3-thiazol-4-yl]methanone
SMILESO=C(c1csc(-c2ccc(OCc3ccc(C(F)(F)F)cc3)cc2)n1)N1CCOCC1
InChIInChI=1S/C22H19F3N2O3S/c23-22(24,25)17-5-1-15(2-6-17)13-30-18-7-3-16(4-8-18)20-26-19(14-31-20)21(28)27-9-11-29-12-10-27/h1-8,14H,9-13H2
InChIKeyHUKVLFHCCKPVOS-UHFFFAOYSA-N
XLogP4.88
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.47
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[4-(2-methoxyethoxy)phenyl]-1,3-thiazol-4-yl]-morpholin-4-ylmethanone
CID 46066040
1-[4-[2-(4-ethoxyphenyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione
CID 55615545
N,N-diethyl-2-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-1,3-thiazole-4-carboxamide
CID 46065626
1-morpholin-4-yl-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethanone
CID 18152175
morpholin-4-yl-[2-(phenoxymethyl)-1,3-thiazol-4-yl]methanone
CID 24712645
morpholin-4-yl-[2-(6-morpholin-4-yl-3-pyridinyl)-1,3-thiazol-4-yl]methanone
CID 53145852
1-[4-[2-[4-[(3-chlorophenyl)methoxy]phenyl]-1,3-thiazole-4-carbonyl]piperazin-1-yl]ethanone
CID 46065776
2-[4-[(4-bromophenyl)methoxy]phenyl]-1,3-thiazole-4-carboxylic acid
CID 20988562
2-[4-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]phenoxy]-1-morpholin-4-ylethanone
CID 72947523
[2-(2-fluoro-4-propoxyphenyl)-1,3-thiazol-4-yl]-morpholin-4-ylmethanone
CID 46067140
(6,6-difluoro-1,4-oxazepan-4-yl)-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methanone
CID 125143108
2-[4-[(3-fluorophenyl)methoxy]phenyl]-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 46067879

Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[2-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-1,3-thiazol-4-yl]methanone?
The IUPAC name of morpholin-4-yl-[2-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-1,3-thiazol-4-yl]methanone (CID 42865751) is morpholin-4-yl-[2-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-1,3-thiazol-4-yl]methanone.
What is the SMILES notation for morpholin-4-yl-[2-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-1,3-thiazol-4-yl]methanone?
The canonical SMILES for morpholin-4-yl-[2-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-1,3-thiazol-4-yl]methanone is O=C(c1csc(-c2ccc(OCc3ccc(C(F)(F)F)cc3)cc2)n1)N1CCOCC1.
What is the InChIKey of morpholin-4-yl-[2-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-1,3-thiazol-4-yl]methanone?
The InChIKey is HUKVLFHCCKPVOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N2O3S/c23-22(24,25)17-5-1-15(2-6-17)13-30-18-7-3-16(4-8-18)20-26-19(14-31-20)21(28)27-9-11-29-12-10-27/h1-8,14H,9-13H2.
What are the key properties of morpholin-4-yl-[2-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-1,3-thiazol-4-yl]methanone?
morpholin-4-yl-[2-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-1,3-thiazol-4-yl]methanone has a molecular weight of 448.47 g/mol, XLogP of 4.88, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[2-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-1,3-thiazol-4-yl]methanone is sourced from PubChem (CID 42865751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).