3-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]morpholine

C14H13F3N2OS — CID 102748231

IUPAC3-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]morpholine
SMILESFC(F)(F)c1cccc(-c2csc(C3COCCN3)n2)c1
InChIInChI=1S/C14H13F3N2OS/c15-14(16,17)10-3-1-2-9(6-10)12-8-21-13(19-12)11-7-20-5-4-18-11/h1-3,6,8,11,18H,4-5,7H2
InChIKeyASMRCIRUJDHPJQ-UHFFFAOYSA-N
MW314.33 g/mol
LogP3.49
Rot. Bonds2

About 3-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]morpholine

3-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]morpholine (PubChem CID 102748231) has the molecular formula C14H13F3N2OS and a molecular weight of 314.33 g/mol. Its IUPAC name is 3-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]morpholine.

Molecular Properties

Compound Name3-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]morpholine
PubChem CID102748231
Molecular FormulaC14H13F3N2OS
Molecular Weight314.33 g/mol
Exact Mass314.07
IUPAC Name3-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]morpholine
SMILESFC(F)(F)c1cccc(-c2csc(C3COCCN3)n2)c1
InChIInChI=1S/C14H13F3N2OS/c15-14(16,17)10-3-1-2-9(6-10)12-8-21-13(19-12)11-7-20-5-4-18-11/h1-3,6,8,11,18H,4-5,7H2
InChIKeyASMRCIRUJDHPJQ-UHFFFAOYSA-N
XLogP3.49
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.33
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-phenyl-1,3-thiazol-2-yl)morpholine
CID 83439832
3-[4-(3-methylthiophen-2-yl)-1,3-thiazol-2-yl]morpholine
CID 102748197
1-[4-(2-morpholin-3-yl-1,3-thiazol-4-yl)phenyl]pyrrolidin-2-one
CID 154746717
(3R)-3-[2,4-bis(trifluoromethyl)phenyl]morpholine
CID 171192773
3-[4-(oxolan-3-yl)-1,3-thiazol-2-yl]morpholine;hydrochloride
CID 120581948
3-(4-cyclopentyl-1,3-thiazol-2-yl)morpholine;hydrochloride
CID 120581945
3-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]pentan-3-amine
CID 61337275
2-[[4-(oxiran-2-yl)phenyl]methyl]-4-[3-(trifluoromethyl)phenyl]-1,3-thiazole
CID 143872478
2-[(3S)-morpholin-3-yl]-4-(trifluoromethyl)phenol
CID 171259740
8-methyl-6-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine
CID 67174394
2-(oxan-2-yloxymethyl)-4-[3-(trifluoromethyl)phenyl]-1,3-thiazole
CID 70794122
3-[4-(1-methylpyrrolidin-3-yl)-1,3-thiazol-2-yl]morpholine
CID 116966504

Frequently Asked Questions

What is the IUPAC name of 3-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]morpholine?
The IUPAC name of 3-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]morpholine (CID 102748231) is 3-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]morpholine.
What is the SMILES notation for 3-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]morpholine?
The canonical SMILES for 3-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]morpholine is FC(F)(F)c1cccc(-c2csc(C3COCCN3)n2)c1.
What is the InChIKey of 3-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]morpholine?
The InChIKey is ASMRCIRUJDHPJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2OS/c15-14(16,17)10-3-1-2-9(6-10)12-8-21-13(19-12)11-7-20-5-4-18-11/h1-3,6,8,11,18H,4-5,7H2.
What are the key properties of 3-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]morpholine?
3-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]morpholine has a molecular weight of 314.33 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]morpholine is sourced from PubChem (CID 102748231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).