6-tert-butyl-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine

C20H26FN5OS — CID 55517482

IUPAC6-tert-butyl-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESCC(C)(C)c1cn2nc(NCC(c3ccc(F)cc3)N3CCOCC3)sc2n1
InChIInChI=1S/C20H26FN5OS/c1-20(2,3)17-13-26-19(23-17)28-18(24-26)22-12-16(25-8-10-27-11-9-25)14-4-6-15(21)7-5-14/h4-7,13,16H,8-12H2,1-3H3,(H,22,24)
InChIKeyIOALWQWIMGSXBP-UHFFFAOYSA-N
MW403.53 g/mol
LogP3.71
Rot. Bonds5

About 6-tert-butyl-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine

6-tert-butyl-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine (PubChem CID 55517482) has the molecular formula C20H26FN5OS and a molecular weight of 403.53 g/mol. Its IUPAC name is 6-tert-butyl-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine.

Molecular Properties

Compound Name6-tert-butyl-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
PubChem CID55517482
Molecular FormulaC20H26FN5OS
Molecular Weight403.53 g/mol
Exact Mass403.18
IUPAC Name6-tert-butyl-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESCC(C)(C)c1cn2nc(NCC(c3ccc(F)cc3)N3CCOCC3)sc2n1
InChIInChI=1S/C20H26FN5OS/c1-20(2,3)17-13-26-19(23-17)28-18(24-26)22-12-16(25-8-10-27-11-9-25)14-4-6-15(21)7-5-14/h4-7,13,16H,8-12H2,1-3H3,(H,22,24)
InChIKeyIOALWQWIMGSXBP-UHFFFAOYSA-N
XLogP3.71
TPSA54.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-tert-butyl-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 55544673
6-methyl-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 94003063
5-[(4-fluorophenyl)methyl]-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1,3,4-thiadiazol-2-amine
CID 133465938
N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]-1,3-benzothiazol-2-amine
CID 60506241
N'-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-1-(2,6-difluorophenyl)-N,N-dimethylethane-1,2-diamine
CID 133314722
N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 25334392
2,2-dichloro-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]propanamide
CID 3673625
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-(4-methylphenyl)acetamide
CID 17459584
N-[(2S)-3-methyl-2-morpholin-4-ylbutyl]-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 25330725
N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-methylpropanamide
CID 30334846
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 55435927
N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-(trifluoromethyl)quinolin-4-amine
CID 97083925

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The IUPAC name of 6-tert-butyl-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine (CID 55517482) is 6-tert-butyl-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine.
What is the SMILES notation for 6-tert-butyl-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The canonical SMILES for 6-tert-butyl-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine is CC(C)(C)c1cn2nc(NCC(c3ccc(F)cc3)N3CCOCC3)sc2n1.
What is the InChIKey of 6-tert-butyl-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The InChIKey is IOALWQWIMGSXBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN5OS/c1-20(2,3)17-13-26-19(23-17)28-18(24-26)22-12-16(25-8-10-27-11-9-25)14-4-6-15(21)7-5-14/h4-7,13,16H,8-12H2,1-3H3,(H,22,24).
What are the key properties of 6-tert-butyl-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
6-tert-butyl-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine has a molecular weight of 403.53 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine is sourced from PubChem (CID 55517482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).