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

C16H17F3N2OS — CID 50953401

IUPAC4-(1,3-thiazol-2-ylmethyl)-2-[[3-(trifluoromethyl)phenyl]methyl]morpholine
SMILESFC(F)(F)c1cccc(CC2CN(Cc3nccs3)CCO2)c1
InChIInChI=1S/C16H17F3N2OS/c17-16(18,19)13-3-1-2-12(8-13)9-14-10-21(5-6-22-14)11-15-20-4-7-23-15/h1-4,7-8,14H,5-6,9-11H2
InChIKeyDPNZLUAKTUSGBP-UHFFFAOYSA-N
MW342.39 g/mol
LogP3.61
Rot. Bonds4

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

4-(1,3-thiazol-2-ylmethyl)-2-[[3-(trifluoromethyl)phenyl]methyl]morpholine (PubChem CID 50953401) has the molecular formula C16H17F3N2OS and a molecular weight of 342.39 g/mol. Its IUPAC name is 4-(1,3-thiazol-2-ylmethyl)-2-[[3-(trifluoromethyl)phenyl]methyl]morpholine.

Molecular Properties

Compound Name4-(1,3-thiazol-2-ylmethyl)-2-[[3-(trifluoromethyl)phenyl]methyl]morpholine
PubChem CID50953401
Molecular FormulaC16H17F3N2OS
Molecular Weight342.39 g/mol
Exact Mass342.10
IUPAC Name4-(1,3-thiazol-2-ylmethyl)-2-[[3-(trifluoromethyl)phenyl]methyl]morpholine
SMILESFC(F)(F)c1cccc(CC2CN(Cc3nccs3)CCO2)c1
InChIInChI=1S/C16H17F3N2OS/c17-16(18,19)13-3-1-2-12(8-13)9-14-10-21(5-6-22-14)11-15-20-4-7-23-15/h1-4,7-8,14H,5-6,9-11H2
InChIKeyDPNZLUAKTUSGBP-UHFFFAOYSA-N
XLogP3.61
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.39
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1,3-thiazol-2-ylmethyl)-2-[[3-(trifluoromethyl)phenyl]methyl]morpholine?
The IUPAC name of 4-(1,3-thiazol-2-ylmethyl)-2-[[3-(trifluoromethyl)phenyl]methyl]morpholine (CID 50953401) is 4-(1,3-thiazol-2-ylmethyl)-2-[[3-(trifluoromethyl)phenyl]methyl]morpholine.
What is the SMILES notation for 4-(1,3-thiazol-2-ylmethyl)-2-[[3-(trifluoromethyl)phenyl]methyl]morpholine?
The canonical SMILES for 4-(1,3-thiazol-2-ylmethyl)-2-[[3-(trifluoromethyl)phenyl]methyl]morpholine is FC(F)(F)c1cccc(CC2CN(Cc3nccs3)CCO2)c1.
What is the InChIKey of 4-(1,3-thiazol-2-ylmethyl)-2-[[3-(trifluoromethyl)phenyl]methyl]morpholine?
The InChIKey is DPNZLUAKTUSGBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N2OS/c17-16(18,19)13-3-1-2-12(8-13)9-14-10-21(5-6-22-14)11-15-20-4-7-23-15/h1-4,7-8,14H,5-6,9-11H2.
What are the key properties of 4-(1,3-thiazol-2-ylmethyl)-2-[[3-(trifluoromethyl)phenyl]methyl]morpholine?
4-(1,3-thiazol-2-ylmethyl)-2-[[3-(trifluoromethyl)phenyl]methyl]morpholine has a molecular weight of 342.39 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-thiazol-2-ylmethyl)-2-[[3-(trifluoromethyl)phenyl]methyl]morpholine is sourced from PubChem (CID 50953401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).