4-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-2-[4-(trifluoromethyl)phenyl]morpholine

C19H21F3N4OS — CID 133449791

IUPAC4-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-2-[4-(trifluoromethyl)phenyl]morpholine
SMILESCC(C)(C)c1cn2nc(N3CCOC(c4ccc(C(F)(F)F)cc4)C3)sc2n1
InChIInChI=1S/C19H21F3N4OS/c1-18(2,3)15-11-26-16(23-15)28-17(24-26)25-8-9-27-14(10-25)12-4-6-13(7-5-12)19(20,21)22/h4-7,11,14H,8-10H2,1-3H3
InChIKeyNLQBVTRDOKIKQP-UHFFFAOYSA-N
MW410.47 g/mol
LogP4.68
Rot. Bonds2

About 4-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-2-[4-(trifluoromethyl)phenyl]morpholine

4-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-2-[4-(trifluoromethyl)phenyl]morpholine (PubChem CID 133449791) has the molecular formula C19H21F3N4OS and a molecular weight of 410.47 g/mol. Its IUPAC name is 4-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-2-[4-(trifluoromethyl)phenyl]morpholine.

Molecular Properties

Compound Name4-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-2-[4-(trifluoromethyl)phenyl]morpholine
PubChem CID133449791
Molecular FormulaC19H21F3N4OS
Molecular Weight410.47 g/mol
Exact Mass410.14
IUPAC Name4-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-2-[4-(trifluoromethyl)phenyl]morpholine
SMILESCC(C)(C)c1cn2nc(N3CCOC(c4ccc(C(F)(F)F)cc4)C3)sc2n1
InChIInChI=1S/C19H21F3N4OS/c1-18(2,3)15-11-26-16(23-15)28-17(24-26)25-8-9-27-14(10-25)12-4-6-13(7-5-12)19(20,21)22/h4-7,11,14H,8-10H2,1-3H3
InChIKeyNLQBVTRDOKIKQP-UHFFFAOYSA-N
XLogP4.68
TPSA42.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2-[4-(trifluoromethyl)phenyl]morpholine
CID 133449940
4-(5-methylpyrimidin-2-yl)-2-[4-(trifluoromethyl)phenyl]morpholine
CID 133449879
6-tert-butyl-2-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole
CID 97262688
6-tert-butyl-2-[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole
CID 133387898
4-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-2-methyl-2-phenylmorpholine
CID 133379442
4-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-2-[4-(trifluoromethyl)phenyl]morpholine
CID 133449954
5-chloro-6-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]pyridine-3-carbonitrile
CID 133449777
4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-2-[4-(trifluoromethyl)phenyl]morpholine
CID 133449908
4-(6-tert-butylsulfonyl-3-pyridinyl)-2-[4-(trifluoromethyl)phenyl]morpholine
CID 133449768
7-ethyl-2-[2-(4-fluorophenyl)morpholin-4-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 87013886
4-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2-[4-(trifluoromethyl)phenyl]morpholine
CID 133449868
6-tert-butyl-2-(4-imidazol-1-ylpiperidin-1-yl)imidazo[2,1-b][1,3,4]thiadiazole
CID 133279862

Frequently Asked Questions

What is the IUPAC name of 4-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-2-[4-(trifluoromethyl)phenyl]morpholine?
The IUPAC name of 4-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-2-[4-(trifluoromethyl)phenyl]morpholine (CID 133449791) is 4-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-2-[4-(trifluoromethyl)phenyl]morpholine.
What is the SMILES notation for 4-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-2-[4-(trifluoromethyl)phenyl]morpholine?
The canonical SMILES for 4-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-2-[4-(trifluoromethyl)phenyl]morpholine is CC(C)(C)c1cn2nc(N3CCOC(c4ccc(C(F)(F)F)cc4)C3)sc2n1.
What is the InChIKey of 4-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-2-[4-(trifluoromethyl)phenyl]morpholine?
The InChIKey is NLQBVTRDOKIKQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N4OS/c1-18(2,3)15-11-26-16(23-15)28-17(24-26)25-8-9-27-14(10-25)12-4-6-13(7-5-12)19(20,21)22/h4-7,11,14H,8-10H2,1-3H3.
What are the key properties of 4-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-2-[4-(trifluoromethyl)phenyl]morpholine?
4-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-2-[4-(trifluoromethyl)phenyl]morpholine has a molecular weight of 410.47 g/mol, XLogP of 4.68, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-2-[4-(trifluoromethyl)phenyl]morpholine is sourced from PubChem (CID 133449791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).