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

C10H13F3N2OS — CID 83959797

IUPAC4-[[4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]morpholine
SMILESCc1nc(C(F)(F)F)sc1CN1CCOCC1
InChIInChI=1S/C10H13F3N2OS/c1-7-8(6-15-2-4-16-5-3-15)17-9(14-7)10(11,12)13/h2-6H2,1H3
InChIKeyXIEVNRORHQOOHW-UHFFFAOYSA-N
MW266.29 g/mol
LogP2.30
Rot. Bonds2

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

4-[[4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]morpholine (PubChem CID 83959797) has the molecular formula C10H13F3N2OS and a molecular weight of 266.29 g/mol. Its IUPAC name is 4-[[4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]morpholine
PubChem CID83959797
Molecular FormulaC10H13F3N2OS
Molecular Weight266.29 g/mol
Exact Mass266.07
IUPAC Name4-[[4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]morpholine
SMILESCc1nc(C(F)(F)F)sc1CN1CCOCC1
InChIInChI=1S/C10H13F3N2OS/c1-7-8(6-15-2-4-16-5-3-15)17-9(14-7)10(11,12)13/h2-6H2,1H3
InChIKeyXIEVNRORHQOOHW-UHFFFAOYSA-N
XLogP2.30
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]morpholine?
The IUPAC name of 4-[[4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]morpholine (CID 83959797) is 4-[[4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]morpholine.
What is the SMILES notation for 4-[[4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]morpholine?
The canonical SMILES for 4-[[4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]morpholine is Cc1nc(C(F)(F)F)sc1CN1CCOCC1.
What is the InChIKey of 4-[[4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]morpholine?
The InChIKey is XIEVNRORHQOOHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2OS/c1-7-8(6-15-2-4-16-5-3-15)17-9(14-7)10(11,12)13/h2-6H2,1H3.
What are the key properties of 4-[[4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]morpholine?
4-[[4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]morpholine has a molecular weight of 266.29 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]morpholine is sourced from PubChem (CID 83959797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).