4-[5-bromo-4-(trifluoromethyl)-1,3-thiazol-2-yl]-2-methyl-6-(trifluoromethyl)morpholine

C10H9BrF6N2OS — CID 166237856

IUPAC4-[5-bromo-4-(trifluoromethyl)-1,3-thiazol-2-yl]-2-methyl-6-(trifluoromethyl)morpholine
SMILESCC1CN(c2nc(C(F)(F)F)c(Br)s2)CC(C(F)(F)F)O1
InChIInChI=1S/C10H9BrF6N2OS/c1-4-2-19(3-5(20-4)9(12,13)14)8-18-6(7(11)21-8)10(15,16)17/h4-5H,2-3H2,1H3
InChIKeyGILVJITYABUEPV-UHFFFAOYSA-N
MW399.15 g/mol
LogP4.08
Rot. Bonds1

About 4-[5-bromo-4-(trifluoromethyl)-1,3-thiazol-2-yl]-2-methyl-6-(trifluoromethyl)morpholine

4-[5-bromo-4-(trifluoromethyl)-1,3-thiazol-2-yl]-2-methyl-6-(trifluoromethyl)morpholine (PubChem CID 166237856) has the molecular formula C10H9BrF6N2OS and a molecular weight of 399.15 g/mol. Its IUPAC name is 4-[5-bromo-4-(trifluoromethyl)-1,3-thiazol-2-yl]-2-methyl-6-(trifluoromethyl)morpholine.

Molecular Properties

Compound Name4-[5-bromo-4-(trifluoromethyl)-1,3-thiazol-2-yl]-2-methyl-6-(trifluoromethyl)morpholine
PubChem CID166237856
Molecular FormulaC10H9BrF6N2OS
Molecular Weight399.15 g/mol
Exact Mass397.95
IUPAC Name4-[5-bromo-4-(trifluoromethyl)-1,3-thiazol-2-yl]-2-methyl-6-(trifluoromethyl)morpholine
SMILESCC1CN(c2nc(C(F)(F)F)c(Br)s2)CC(C(F)(F)F)O1
InChIInChI=1S/C10H9BrF6N2OS/c1-4-2-19(3-5(20-4)9(12,13)14)8-18-6(7(11)21-8)10(15,16)17/h4-5H,2-3H2,1H3
InChIKeyGILVJITYABUEPV-UHFFFAOYSA-N
XLogP4.08
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.15
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-Bromo-4-methyl-2-(morpholino)thiazole
CID 83554009
4-[5-Methyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]morpholine
CID 170133929
2,6-Dimethyl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]morpholine
CID 133365826
4-[5-Bromo-4-(trifluoromethyl)-1,3-thiazol-2-yl]-2-(methoxymethyl)-6-methylmorpholine
CID 166237867
4-[5-Bromo-4-(trifluoromethyl)-1,3-thiazol-2-yl]-2-cyclopropyl-6-methylmorpholine
CID 166237870
(2S,7R)-4-[5-bromo-4-(trifluoromethyl)-1,3-thiazol-2-yl]-2,7-dimethyl-1,4-oxazepane
CID 166243697
2-[4-[5-Bromo-4-(trifluoromethyl)-1,3-thiazol-2-yl]-6-methylmorpholin-2-yl]ethanol
CID 166296845
2-[4-[5-Bromo-4-(trifluoromethyl)-1,3-thiazol-2-yl]morpholin-2-yl]propan-2-ol
CID 167828362
5-Bromo-2-(cis-2,6-dimethyl-morpholin-4-yl)-thiazole-4-carbonitrile
CID 67216779
5-Bromo-2-(2,6-dimethylmorpholin-4-yl)-1,3-thiazole-4-carbonitrile
CID 67216780
(2R,6S)-4-[4-(bromomethyl)-1,3-thiazol-2-yl]-2,6-dimethylmorpholine
CID 117981364
4-[4-(Bromomethyl)-1,3-thiazol-2-yl]-2,6-dimethylmorpholine
CID 130179591

Frequently Asked Questions

What is the IUPAC name of 4-[5-bromo-4-(trifluoromethyl)-1,3-thiazol-2-yl]-2-methyl-6-(trifluoromethyl)morpholine?
The IUPAC name of 4-[5-bromo-4-(trifluoromethyl)-1,3-thiazol-2-yl]-2-methyl-6-(trifluoromethyl)morpholine (CID 166237856) is 4-[5-bromo-4-(trifluoromethyl)-1,3-thiazol-2-yl]-2-methyl-6-(trifluoromethyl)morpholine.
What is the SMILES notation for 4-[5-bromo-4-(trifluoromethyl)-1,3-thiazol-2-yl]-2-methyl-6-(trifluoromethyl)morpholine?
The canonical SMILES for 4-[5-bromo-4-(trifluoromethyl)-1,3-thiazol-2-yl]-2-methyl-6-(trifluoromethyl)morpholine is CC1CN(c2nc(C(F)(F)F)c(Br)s2)CC(C(F)(F)F)O1.
What is the InChIKey of 4-[5-bromo-4-(trifluoromethyl)-1,3-thiazol-2-yl]-2-methyl-6-(trifluoromethyl)morpholine?
The InChIKey is GILVJITYABUEPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrF6N2OS/c1-4-2-19(3-5(20-4)9(12,13)14)8-18-6(7(11)21-8)10(15,16)17/h4-5H,2-3H2,1H3.
What are the key properties of 4-[5-bromo-4-(trifluoromethyl)-1,3-thiazol-2-yl]-2-methyl-6-(trifluoromethyl)morpholine?
4-[5-bromo-4-(trifluoromethyl)-1,3-thiazol-2-yl]-2-methyl-6-(trifluoromethyl)morpholine has a molecular weight of 399.15 g/mol, XLogP of 4.08, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-bromo-4-(trifluoromethyl)-1,3-thiazol-2-yl]-2-methyl-6-(trifluoromethyl)morpholine is sourced from PubChem (CID 166237856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).