N-[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-4-fluoro-N-(2-methoxyethyl)benzamide

C23H21ClFN3O2S — CID 42793111

IUPACN-[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-4-fluoro-N-(2-methoxyethyl)benzamide
SMILESCOCCN(CCc1csc2nc(-c3ccc(Cl)cc3)cn12)C(=O)c1ccc(F)cc1
InChIInChI=1S/C23H21ClFN3O2S/c1-30-13-12-27(22(29)17-4-8-19(25)9-5-17)11-10-20-15-31-23-26-21(14-28(20)23)16-2-6-18(24)7-3-16/h2-9,14-15H,10-13H2,1H3
InChIKeyQQGPOSBPTUPCAO-UHFFFAOYSA-N
MW457.96 g/mol
LogP5.19
Rot. Bonds8

About N-[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-4-fluoro-N-(2-methoxyethyl)benzamide

N-[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-4-fluoro-N-(2-methoxyethyl)benzamide (PubChem CID 42793111) has the molecular formula C23H21ClFN3O2S and a molecular weight of 457.96 g/mol. Its IUPAC name is N-[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-4-fluoro-N-(2-methoxyethyl)benzamide.

Molecular Properties

Compound NameN-[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-4-fluoro-N-(2-methoxyethyl)benzamide
PubChem CID42793111
Molecular FormulaC23H21ClFN3O2S
Molecular Weight457.96 g/mol
Exact Mass457.10
IUPAC NameN-[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-4-fluoro-N-(2-methoxyethyl)benzamide
SMILESCOCCN(CCc1csc2nc(-c3ccc(Cl)cc3)cn12)C(=O)c1ccc(F)cc1
InChIInChI=1S/C23H21ClFN3O2S/c1-30-13-12-27(22(29)17-4-8-19(25)9-5-17)11-10-20-15-31-23-26-21(14-28(20)23)16-2-6-18(24)7-3-16/h2-9,14-15H,10-13H2,1H3
InChIKeyQQGPOSBPTUPCAO-UHFFFAOYSA-N
XLogP5.19
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.96
LogP ≤ 55.19
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]-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)thiophene-2-carboxamide
CID 42793120
N-[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(2-methoxyethyl)-2-methylpropanamide
CID 42793114
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)cyclopropanecarboxamide
CID 7301539
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-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-3,5-dimethoxy-N-(2-morpholin-4-ylethyl)benzamide
CID 5202722
N-benzyl-2-fluoro-N-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]benzamide
CID 5065946
2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 7522319
N-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(furan-2-ylmethyl)benzamide
CID 5057421
N-benzyl-N-[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-3,5-bis(trifluoromethyl)benzamide
CID 4645323
N-(2-methoxyethyl)-N-[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]-2-phenylmethoxyacetamide
CID 3311523

Frequently Asked Questions

What is the IUPAC name of N-[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-4-fluoro-N-(2-methoxyethyl)benzamide?
The IUPAC name of N-[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-4-fluoro-N-(2-methoxyethyl)benzamide (CID 42793111) is N-[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-4-fluoro-N-(2-methoxyethyl)benzamide.
What is the SMILES notation for N-[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-4-fluoro-N-(2-methoxyethyl)benzamide?
The canonical SMILES for N-[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-4-fluoro-N-(2-methoxyethyl)benzamide is COCCN(CCc1csc2nc(-c3ccc(Cl)cc3)cn12)C(=O)c1ccc(F)cc1.
What is the InChIKey of N-[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-4-fluoro-N-(2-methoxyethyl)benzamide?
The InChIKey is QQGPOSBPTUPCAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClFN3O2S/c1-30-13-12-27(22(29)17-4-8-19(25)9-5-17)11-10-20-15-31-23-26-21(14-28(20)23)16-2-6-18(24)7-3-16/h2-9,14-15H,10-13H2,1H3.
What are the key properties of N-[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-4-fluoro-N-(2-methoxyethyl)benzamide?
N-[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-4-fluoro-N-(2-methoxyethyl)benzamide has a molecular weight of 457.96 g/mol, XLogP of 5.19, 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-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-4-fluoro-N-(2-methoxyethyl)benzamide is sourced from PubChem (CID 42793111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).