3-cyclopentyl-N-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(2-morpholin-4-ylethyl)propanamide

C27H35FN4O2S — CID 4129559

IUPAC3-cyclopentyl-N-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(2-morpholin-4-ylethyl)propanamide
SMILESO=C(CCC1CCCC1)N(CCc1csc2nc(-c3ccc(F)cc3)cn12)CCN1CCOCC1
InChIInChI=1S/C27H35FN4O2S/c28-23-8-6-22(7-9-23)25-19-32-24(20-35-27(32)29-25)11-12-31(14-13-30-15-17-34-18-16-30)26(33)10-5-21-3-1-2-4-21/h6-9,19-21H,1-5,10-18H2
InChIKeyIGSHCNSKDSHPRJ-UHFFFAOYSA-N
MW498.67 g/mol
LogP4.88
Rot. Bonds10

About 3-cyclopentyl-N-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(2-morpholin-4-ylethyl)propanamide

3-cyclopentyl-N-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(2-morpholin-4-ylethyl)propanamide (PubChem CID 4129559) has the molecular formula C27H35FN4O2S and a molecular weight of 498.67 g/mol. Its IUPAC name is 3-cyclopentyl-N-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(2-morpholin-4-ylethyl)propanamide.

Molecular Properties

Compound Name3-cyclopentyl-N-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(2-morpholin-4-ylethyl)propanamide
PubChem CID4129559
Molecular FormulaC27H35FN4O2S
Molecular Weight498.67 g/mol
Exact Mass498.25
IUPAC Name3-cyclopentyl-N-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(2-morpholin-4-ylethyl)propanamide
SMILESO=C(CCC1CCCC1)N(CCc1csc2nc(-c3ccc(F)cc3)cn12)CCN1CCOCC1
InChIInChI=1S/C27H35FN4O2S/c28-23-8-6-22(7-9-23)25-19-32-24(20-35-27(32)29-25)11-12-31(14-13-30-15-17-34-18-16-30)26(33)10-5-21-3-1-2-4-21/h6-9,19-21H,1-5,10-18H2
InChIKeyIGSHCNSKDSHPRJ-UHFFFAOYSA-N
XLogP4.88
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.67
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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
4-fluoro-N-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 4220581
N-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(oxolan-2-ylmethyl)cyclohexanecarboxamide
CID 4124075
3-cyclopentyl-N-(furan-2-ylmethyl)-N-[2-(6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]propanamide
CID 5240199
N-[2-[6-(2,5-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(2-morpholin-4-ylethyl)cyclohexanecarboxamide
CID 4164817
3-(4-cyanophenyl)-1-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-1-(oxolan-2-ylmethyl)urea
CID 4227965
6-(4-fluorophenyl)-N-(2-methyl-1-morpholin-4-ylpropan-2-yl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 56718509
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-(2-methoxyethyl)adamantane-1-carboxamide
CID 3556870
N-[2-[6-(2,5-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(2-morpholin-4-ylethyl)-2-phenoxyacetamide
CID 4172465
2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
CID 27370386
N-[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-4-fluoro-N-(2-methoxyethyl)benzamide
CID 42793111

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(2-morpholin-4-ylethyl)propanamide?
The IUPAC name of 3-cyclopentyl-N-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(2-morpholin-4-ylethyl)propanamide (CID 4129559) is 3-cyclopentyl-N-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(2-morpholin-4-ylethyl)propanamide.
What is the SMILES notation for 3-cyclopentyl-N-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(2-morpholin-4-ylethyl)propanamide?
The canonical SMILES for 3-cyclopentyl-N-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(2-morpholin-4-ylethyl)propanamide is O=C(CCC1CCCC1)N(CCc1csc2nc(-c3ccc(F)cc3)cn12)CCN1CCOCC1.
What is the InChIKey of 3-cyclopentyl-N-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(2-morpholin-4-ylethyl)propanamide?
The InChIKey is IGSHCNSKDSHPRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35FN4O2S/c28-23-8-6-22(7-9-23)25-19-32-24(20-35-27(32)29-25)11-12-31(14-13-30-15-17-34-18-16-30)26(33)10-5-21-3-1-2-4-21/h6-9,19-21H,1-5,10-18H2.
What are the key properties of 3-cyclopentyl-N-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(2-morpholin-4-ylethyl)propanamide?
3-cyclopentyl-N-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(2-morpholin-4-ylethyl)propanamide has a molecular weight of 498.67 g/mol, XLogP of 4.88, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(2-morpholin-4-ylethyl)propanamide is sourced from PubChem (CID 4129559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).