N-(2-morpholin-4-ylethyl)-5-[3-(trifluoromethoxy)phenyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine

C17H18F3N5O2S — CID 58285476

IUPACN-(2-morpholin-4-ylethyl)-5-[3-(trifluoromethoxy)phenyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESFC(F)(F)Oc1cccc(-c2cnc3sc(NCCN4CCOCC4)nn23)c1
InChIInChI=1S/C17H18F3N5O2S/c18-17(19,20)27-13-3-1-2-12(10-13)14-11-22-16-25(14)23-15(28-16)21-4-5-24-6-8-26-9-7-24/h1-3,10-11H,4-9H2,(H,21,23)
InChIKeyRZLIIDSGBPWNNO-UHFFFAOYSA-N
MW413.43 g/mol
LogP3.10
Rot. Bonds6

About N-(2-morpholin-4-ylethyl)-5-[3-(trifluoromethoxy)phenyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine

N-(2-morpholin-4-ylethyl)-5-[3-(trifluoromethoxy)phenyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine (PubChem CID 58285476) has the molecular formula C17H18F3N5O2S and a molecular weight of 413.43 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)-5-[3-(trifluoromethoxy)phenyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)-5-[3-(trifluoromethoxy)phenyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
PubChem CID58285476
Molecular FormulaC17H18F3N5O2S
Molecular Weight413.43 g/mol
Exact Mass413.11
IUPAC NameN-(2-morpholin-4-ylethyl)-5-[3-(trifluoromethoxy)phenyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESFC(F)(F)Oc1cccc(-c2cnc3sc(NCCN4CCOCC4)nn23)c1
InChIInChI=1S/C17H18F3N5O2S/c18-17(19,20)27-13-3-1-2-12(10-13)14-11-22-16-25(14)23-15(28-16)21-4-5-24-6-8-26-9-7-24/h1-3,10-11H,4-9H2,(H,21,23)
InChIKeyRZLIIDSGBPWNNO-UHFFFAOYSA-N
XLogP3.10
TPSA63.92 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.43
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylethyl)-5-[3-(trifluoromethoxy)phenyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The IUPAC name of N-(2-morpholin-4-ylethyl)-5-[3-(trifluoromethoxy)phenyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine (CID 58285476) is N-(2-morpholin-4-ylethyl)-5-[3-(trifluoromethoxy)phenyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)-5-[3-(trifluoromethoxy)phenyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The canonical SMILES for N-(2-morpholin-4-ylethyl)-5-[3-(trifluoromethoxy)phenyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine is FC(F)(F)Oc1cccc(-c2cnc3sc(NCCN4CCOCC4)nn23)c1.
What is the InChIKey of N-(2-morpholin-4-ylethyl)-5-[3-(trifluoromethoxy)phenyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The InChIKey is RZLIIDSGBPWNNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N5O2S/c18-17(19,20)27-13-3-1-2-12(10-13)14-11-22-16-25(14)23-15(28-16)21-4-5-24-6-8-26-9-7-24/h1-3,10-11H,4-9H2,(H,21,23).
What are the key properties of N-(2-morpholin-4-ylethyl)-5-[3-(trifluoromethoxy)phenyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
N-(2-morpholin-4-ylethyl)-5-[3-(trifluoromethoxy)phenyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine has a molecular weight of 413.43 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylethyl)-5-[3-(trifluoromethoxy)phenyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine is sourced from PubChem (CID 58285476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).