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

C18H21F3N2O2S — CID 19974318

IUPAC4-[1-(4-methoxyphenyl)propan-2-yl]-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]morpholine
SMILESCOc1ccc(CC(C)N2CCOC(c3csc(C(F)(F)F)n3)C2)cc1
InChIInChI=1S/C18H21F3N2O2S/c1-12(9-13-3-5-14(24-2)6-4-13)23-7-8-25-16(10-23)15-11-26-17(22-15)18(19,20)21/h3-6,11-12,16H,7-10H2,1-2H3
InChIKeyIZHMNCUSSHHHTG-UHFFFAOYSA-N
MW386.44 g/mol
LogP4.18
Rot. Bonds5

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

4-[1-(4-methoxyphenyl)propan-2-yl]-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]morpholine (PubChem CID 19974318) has the molecular formula C18H21F3N2O2S and a molecular weight of 386.44 g/mol. Its IUPAC name is 4-[1-(4-methoxyphenyl)propan-2-yl]-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]morpholine.

Molecular Properties

Compound Name4-[1-(4-methoxyphenyl)propan-2-yl]-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]morpholine
PubChem CID19974318
Molecular FormulaC18H21F3N2O2S
Molecular Weight386.44 g/mol
Exact Mass386.13
IUPAC Name4-[1-(4-methoxyphenyl)propan-2-yl]-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]morpholine
SMILESCOc1ccc(CC(C)N2CCOC(c3csc(C(F)(F)F)n3)C2)cc1
InChIInChI=1S/C18H21F3N2O2S/c1-12(9-13-3-5-14(24-2)6-4-13)23-7-8-25-16(10-23)15-11-26-17(22-15)18(19,20)21/h3-6,11-12,16H,7-10H2,1-2H3
InChIKeyIZHMNCUSSHHHTG-UHFFFAOYSA-N
XLogP4.18
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.44
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-methoxyphenyl)propan-2-yl]-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]morpholine?
The IUPAC name of 4-[1-(4-methoxyphenyl)propan-2-yl]-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]morpholine (CID 19974318) is 4-[1-(4-methoxyphenyl)propan-2-yl]-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]morpholine.
What is the SMILES notation for 4-[1-(4-methoxyphenyl)propan-2-yl]-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]morpholine?
The canonical SMILES for 4-[1-(4-methoxyphenyl)propan-2-yl]-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]morpholine is COc1ccc(CC(C)N2CCOC(c3csc(C(F)(F)F)n3)C2)cc1.
What is the InChIKey of 4-[1-(4-methoxyphenyl)propan-2-yl]-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]morpholine?
The InChIKey is IZHMNCUSSHHHTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F3N2O2S/c1-12(9-13-3-5-14(24-2)6-4-13)23-7-8-25-16(10-23)15-11-26-17(22-15)18(19,20)21/h3-6,11-12,16H,7-10H2,1-2H3.
What are the key properties of 4-[1-(4-methoxyphenyl)propan-2-yl]-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]morpholine?
4-[1-(4-methoxyphenyl)propan-2-yl]-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]morpholine has a molecular weight of 386.44 g/mol, XLogP of 4.18, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-methoxyphenyl)propan-2-yl]-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]morpholine is sourced from PubChem (CID 19974318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).