3-morpholin-4-yl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]quinoxalin-2-amine

C18H18F3N5OS — CID 133378353

IUPAC3-morpholin-4-yl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]quinoxalin-2-amine
SMILESFC(F)(F)c1csc(CCNc2nc3ccccc3nc2N2CCOCC2)n1
InChIInChI=1S/C18H18F3N5OS/c19-18(20,21)14-11-28-15(25-14)5-6-22-16-17(26-7-9-27-10-8-26)24-13-4-2-1-3-12(13)23-16/h1-4,11H,5-10H2,(H,22,23)
InChIKeyAGIYDNNLCOKHDE-UHFFFAOYSA-N
MW409.44 g/mol
LogP3.60
Rot. Bonds5

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

3-morpholin-4-yl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]quinoxalin-2-amine (PubChem CID 133378353) has the molecular formula C18H18F3N5OS and a molecular weight of 409.44 g/mol. Its IUPAC name is 3-morpholin-4-yl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]quinoxalin-2-amine.

Molecular Properties

Compound Name3-morpholin-4-yl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]quinoxalin-2-amine
PubChem CID133378353
Molecular FormulaC18H18F3N5OS
Molecular Weight409.44 g/mol
Exact Mass409.12
IUPAC Name3-morpholin-4-yl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]quinoxalin-2-amine
SMILESFC(F)(F)c1csc(CCNc2nc3ccccc3nc2N2CCOCC2)n1
InChIInChI=1S/C18H18F3N5OS/c19-18(20,21)14-11-28-15(25-14)5-6-22-16-17(26-7-9-27-10-8-26)24-13-4-2-1-3-12(13)23-16/h1-4,11H,5-10H2,(H,22,23)
InChIKeyAGIYDNNLCOKHDE-UHFFFAOYSA-N
XLogP3.60
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.44
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-yl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]quinoxalin-2-amine?
The IUPAC name of 3-morpholin-4-yl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]quinoxalin-2-amine (CID 133378353) is 3-morpholin-4-yl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]quinoxalin-2-amine.
What is the SMILES notation for 3-morpholin-4-yl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]quinoxalin-2-amine?
The canonical SMILES for 3-morpholin-4-yl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]quinoxalin-2-amine is FC(F)(F)c1csc(CCNc2nc3ccccc3nc2N2CCOCC2)n1.
What is the InChIKey of 3-morpholin-4-yl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]quinoxalin-2-amine?
The InChIKey is AGIYDNNLCOKHDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N5OS/c19-18(20,21)14-11-28-15(25-14)5-6-22-16-17(26-7-9-27-10-8-26)24-13-4-2-1-3-12(13)23-16/h1-4,11H,5-10H2,(H,22,23).
What are the key properties of 3-morpholin-4-yl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]quinoxalin-2-amine?
3-morpholin-4-yl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]quinoxalin-2-amine has a molecular weight of 409.44 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-yl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]quinoxalin-2-amine is sourced from PubChem (CID 133378353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).