4-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine

C14H14F3N3OS — CID 118641266

IUPAC4-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
SMILESNc1nc(-c2ccc(N3CCOCC3)c(C(F)(F)F)c2)cs1
InChIInChI=1S/C14H14F3N3OS/c15-14(16,17)10-7-9(11-8-22-13(18)19-11)1-2-12(10)20-3-5-21-6-4-20/h1-2,7-8H,3-6H2,(H2,18,19)
InChIKeyDUCAYYYBBVARRE-UHFFFAOYSA-N
MW329.35 g/mol
LogP3.25
Rot. Bonds2

About 4-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine

4-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine (PubChem CID 118641266) has the molecular formula C14H14F3N3OS and a molecular weight of 329.35 g/mol. Its IUPAC name is 4-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
PubChem CID118641266
Molecular FormulaC14H14F3N3OS
Molecular Weight329.35 g/mol
Exact Mass329.08
IUPAC Name4-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
SMILESNc1nc(-c2ccc(N3CCOCC3)c(C(F)(F)F)c2)cs1
InChIInChI=1S/C14H14F3N3OS/c15-14(16,17)10-7-9(11-8-22-13(18)19-11)1-2-12(10)20-3-5-21-6-4-20/h1-2,7-8H,3-6H2,(H2,18,19)
InChIKeyDUCAYYYBBVARRE-UHFFFAOYSA-N
XLogP3.25
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.35
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine (CID 118641266) is 4-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine is Nc1nc(-c2ccc(N3CCOCC3)c(C(F)(F)F)c2)cs1.
What is the InChIKey of 4-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
The InChIKey is DUCAYYYBBVARRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3OS/c15-14(16,17)10-7-9(11-8-22-13(18)19-11)1-2-12(10)20-3-5-21-6-4-20/h1-2,7-8H,3-6H2,(H2,18,19).
What are the key properties of 4-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
4-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine has a molecular weight of 329.35 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 118641266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).