N-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(2-methoxyethyl)adamantane-1-carboxamide

C27H32FN3O2S — CID 3556870

IUPACN-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(2-methoxyethyl)adamantane-1-carboxamide
SMILESCOCCN(CCc1csc2nc(-c3ccc(F)cc3)cn12)C(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C27H32FN3O2S/c1-33-9-8-30(25(32)27-13-18-10-19(14-27)12-20(11-18)15-27)7-6-23-17-34-26-29-24(16-31(23)26)21-2-4-22(28)5-3-21/h2-5,16-20H,6-15H2,1H3
InChIKeyPIHXMLVSYIZHAK-UHFFFAOYSA-N
MW481.64 g/mol
LogP5.44
Rot. Bonds8

About N-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(2-methoxyethyl)adamantane-1-carboxamide

N-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(2-methoxyethyl)adamantane-1-carboxamide (PubChem CID 3556870) has the molecular formula C27H32FN3O2S and a molecular weight of 481.64 g/mol. Its IUPAC name is N-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(2-methoxyethyl)adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(2-methoxyethyl)adamantane-1-carboxamide
PubChem CID3556870
Molecular FormulaC27H32FN3O2S
Molecular Weight481.64 g/mol
Exact Mass481.22
IUPAC NameN-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(2-methoxyethyl)adamantane-1-carboxamide
SMILESCOCCN(CCc1csc2nc(-c3ccc(F)cc3)cn12)C(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C27H32FN3O2S/c1-33-9-8-30(25(32)27-13-18-10-19(14-27)12-20(11-18)15-27)7-6-23-17-34-26-29-24(16-31(23)26)21-2-4-22(28)5-3-21/h2-5,16-20H,6-15H2,1H3
InChIKeyPIHXMLVSYIZHAK-UHFFFAOYSA-N
XLogP5.44
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.64
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-4-fluoro-N-(2-methoxyethyl)benzamide
CID 42793111
N-[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-2-(4-fluorophenyl)-N-(2-methoxyethyl)acetamide
CID 42793156
N-[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(2-methoxyethyl)cyclopropanecarboxamide
CID 7301539
2,2-dichloro-N-[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(2-methoxyethyl)acetamide
CID 42793108
N-[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(2-methoxyethyl)-2-methylpropanamide
CID 42793114
N-[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(2-methoxyethyl)thiophene-2-carboxamide
CID 42793120
N-(2-methoxyethyl)-N-[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]-2-phenylmethoxyacetamide
CID 3311523
N-(2-methoxyethyl)-N-[2-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-3-phenylprop-2-enamide
CID 3601788
1-(2-methoxyethyl)-3-(2-methylphenyl)-1-[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]urea
CID 4182700
N-cyclopropyl-2-fluoro-N-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]benzamide
CID 4120636
N-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(oxolan-2-ylmethyl)cyclohexanecarboxamide
CID 4124075
N-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-3,5-dimethoxy-N-(2-morpholin-4-ylethyl)benzamide
CID 5202722

Frequently Asked Questions

What is the IUPAC name of N-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(2-methoxyethyl)adamantane-1-carboxamide?
The IUPAC name of N-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(2-methoxyethyl)adamantane-1-carboxamide (CID 3556870) is N-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(2-methoxyethyl)adamantane-1-carboxamide.
What is the SMILES notation for N-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(2-methoxyethyl)adamantane-1-carboxamide?
The canonical SMILES for N-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(2-methoxyethyl)adamantane-1-carboxamide is COCCN(CCc1csc2nc(-c3ccc(F)cc3)cn12)C(=O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(2-methoxyethyl)adamantane-1-carboxamide?
The InChIKey is PIHXMLVSYIZHAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32FN3O2S/c1-33-9-8-30(25(32)27-13-18-10-19(14-27)12-20(11-18)15-27)7-6-23-17-34-26-29-24(16-31(23)26)21-2-4-22(28)5-3-21/h2-5,16-20H,6-15H2,1H3.
What are the key properties of N-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(2-methoxyethyl)adamantane-1-carboxamide?
N-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(2-methoxyethyl)adamantane-1-carboxamide has a molecular weight of 481.64 g/mol, XLogP of 5.44, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(2-methoxyethyl)adamantane-1-carboxamide is sourced from PubChem (CID 3556870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).