N-[2-(4-fluorophenyl)ethyl]-3-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)propanamide

C22H20FN3OS — CID 27377015

IUPACN-[2-(4-fluorophenyl)ethyl]-3-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)propanamide
SMILESO=C(CCc1csc2nc(-c3ccccc3)cn12)NCCc1ccc(F)cc1
InChIInChI=1S/C22H20FN3OS/c23-18-8-6-16(7-9-18)12-13-24-21(27)11-10-19-15-28-22-25-20(14-26(19)22)17-4-2-1-3-5-17/h1-9,14-15H,10-13H2,(H,24,27)
InChIKeyHHHJEMNDPCDMLQ-UHFFFAOYSA-N
MW393.49 g/mol
LogP4.49
Rot. Bonds7

About N-[2-(4-fluorophenyl)ethyl]-3-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)propanamide

N-[2-(4-fluorophenyl)ethyl]-3-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)propanamide (PubChem CID 27377015) has the molecular formula C22H20FN3OS and a molecular weight of 393.49 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-3-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)propanamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-3-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)propanamide
PubChem CID27377015
Molecular FormulaC22H20FN3OS
Molecular Weight393.49 g/mol
Exact Mass393.13
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-3-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)propanamide
SMILESO=C(CCc1csc2nc(-c3ccccc3)cn12)NCCc1ccc(F)cc1
InChIInChI=1S/C22H20FN3OS/c23-18-8-6-16(7-9-18)12-13-24-21(27)11-10-19-15-28-22-25-20(14-26(19)22)17-4-2-1-3-5-17/h1-9,14-15H,10-13H2,(H,24,27)
InChIKeyHHHJEMNDPCDMLQ-UHFFFAOYSA-N
XLogP4.49
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-fluorophenyl)ethyl]-3-[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanamide
CID 30940055
3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(2-phenylethyl)propanamide
CID 27377169
N-(3-methylbutyl)-3-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)propanamide
CID 30939257
3-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)-N-prop-2-enylpropanamide
CID 30939255
2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 121038232
N-naphthalen-1-yl-3-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)propanamide
CID 30939336
N-[2-(4-chlorophenyl)ethyl]-2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 121038539
3-[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-propylpropanamide
CID 30940092
N-[2-(3-methylphenyl)ethyl]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide
CID 53036810
N-butyl-3-[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanamide
CID 30940095
2-[6-(3,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(2-phenylethyl)acetamide;hydrochloride
CID 146063334
2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(2-phenylethyl)acetamide
CID 40509284

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-3-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)propanamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-3-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)propanamide (CID 27377015) is N-[2-(4-fluorophenyl)ethyl]-3-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)propanamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-3-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)propanamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-3-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)propanamide is O=C(CCc1csc2nc(-c3ccccc3)cn12)NCCc1ccc(F)cc1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-3-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)propanamide?
The InChIKey is HHHJEMNDPCDMLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN3OS/c23-18-8-6-16(7-9-18)12-13-24-21(27)11-10-19-15-28-22-25-20(14-26(19)22)17-4-2-1-3-5-17/h1-9,14-15H,10-13H2,(H,24,27).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-3-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)propanamide?
N-[2-(4-fluorophenyl)ethyl]-3-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)propanamide has a molecular weight of 393.49 g/mol, XLogP of 4.49, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-3-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)propanamide is sourced from PubChem (CID 27377015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).