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

C12H14BrF3N2OS — CID 166237870

IUPAC4-[5-bromo-4-(trifluoromethyl)-1,3-thiazol-2-yl]-2-cyclopropyl-6-methylmorpholine
SMILESCC1CN(c2nc(C(F)(F)F)c(Br)s2)CC(C2CC2)O1
InChIInChI=1S/C12H14BrF3N2OS/c1-6-4-18(5-8(19-6)7-2-3-7)11-17-9(10(13)20-11)12(14,15)16/h6-8H,2-5H2,1H3
InChIKeyMDSHGEIKMAKOOG-UHFFFAOYSA-N
MW371.22 g/mol
LogP3.93
Rot. Bonds2

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

4-[5-bromo-4-(trifluoromethyl)-1,3-thiazol-2-yl]-2-cyclopropyl-6-methylmorpholine (PubChem CID 166237870) has the molecular formula C12H14BrF3N2OS and a molecular weight of 371.22 g/mol. Its IUPAC name is 4-[5-bromo-4-(trifluoromethyl)-1,3-thiazol-2-yl]-2-cyclopropyl-6-methylmorpholine.

Molecular Properties

Compound Name4-[5-bromo-4-(trifluoromethyl)-1,3-thiazol-2-yl]-2-cyclopropyl-6-methylmorpholine
PubChem CID166237870
Molecular FormulaC12H14BrF3N2OS
Molecular Weight371.22 g/mol
Exact Mass370.00
IUPAC Name4-[5-bromo-4-(trifluoromethyl)-1,3-thiazol-2-yl]-2-cyclopropyl-6-methylmorpholine
SMILESCC1CN(c2nc(C(F)(F)F)c(Br)s2)CC(C2CC2)O1
InChIInChI=1S/C12H14BrF3N2OS/c1-6-4-18(5-8(19-6)7-2-3-7)11-17-9(10(13)20-11)12(14,15)16/h6-8H,2-5H2,1H3
InChIKeyMDSHGEIKMAKOOG-UHFFFAOYSA-N
XLogP3.93
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.22
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[5-bromo-4-(trifluoromethyl)-1,3-thiazol-2-yl]-2-cyclopropyl-6-methylmorpholine?
The IUPAC name of 4-[5-bromo-4-(trifluoromethyl)-1,3-thiazol-2-yl]-2-cyclopropyl-6-methylmorpholine (CID 166237870) is 4-[5-bromo-4-(trifluoromethyl)-1,3-thiazol-2-yl]-2-cyclopropyl-6-methylmorpholine.
What is the SMILES notation for 4-[5-bromo-4-(trifluoromethyl)-1,3-thiazol-2-yl]-2-cyclopropyl-6-methylmorpholine?
The canonical SMILES for 4-[5-bromo-4-(trifluoromethyl)-1,3-thiazol-2-yl]-2-cyclopropyl-6-methylmorpholine is CC1CN(c2nc(C(F)(F)F)c(Br)s2)CC(C2CC2)O1.
What is the InChIKey of 4-[5-bromo-4-(trifluoromethyl)-1,3-thiazol-2-yl]-2-cyclopropyl-6-methylmorpholine?
The InChIKey is MDSHGEIKMAKOOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrF3N2OS/c1-6-4-18(5-8(19-6)7-2-3-7)11-17-9(10(13)20-11)12(14,15)16/h6-8H,2-5H2,1H3.
What are the key properties of 4-[5-bromo-4-(trifluoromethyl)-1,3-thiazol-2-yl]-2-cyclopropyl-6-methylmorpholine?
4-[5-bromo-4-(trifluoromethyl)-1,3-thiazol-2-yl]-2-cyclopropyl-6-methylmorpholine has a molecular weight of 371.22 g/mol, XLogP of 3.93, 2 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-cyclopropyl-6-methylmorpholine is sourced from PubChem (CID 166237870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).