N-benzyl-2-fluoro-N-[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]benzamide

C27H22FN3OS — CID 3586558

IUPACN-benzyl-2-fluoro-N-[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]benzamide
SMILESO=C(c1ccccc1F)N(CCc1csc2nc(-c3ccccc3)cn12)Cc1ccccc1
InChIInChI=1S/C27H22FN3OS/c28-24-14-8-7-13-23(24)26(32)30(17-20-9-3-1-4-10-20)16-15-22-19-33-27-29-25(18-31(22)27)21-11-5-2-6-12-21/h1-14,18-19H,15-17H2
InChIKeyMZRHHVJADYBOES-UHFFFAOYSA-N
MW455.56 g/mol
LogP6.09
Rot. Bonds7

About N-benzyl-2-fluoro-N-[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]benzamide

N-benzyl-2-fluoro-N-[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]benzamide (PubChem CID 3586558) has the molecular formula C27H22FN3OS and a molecular weight of 455.56 g/mol. Its IUPAC name is N-benzyl-2-fluoro-N-[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]benzamide.

Molecular Properties

Compound NameN-benzyl-2-fluoro-N-[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]benzamide
PubChem CID3586558
Molecular FormulaC27H22FN3OS
Molecular Weight455.56 g/mol
Exact Mass455.15
IUPAC NameN-benzyl-2-fluoro-N-[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]benzamide
SMILESO=C(c1ccccc1F)N(CCc1csc2nc(-c3ccccc3)cn12)Cc1ccccc1
InChIInChI=1S/C27H22FN3OS/c28-24-14-8-7-13-23(24)26(32)30(17-20-9-3-1-4-10-20)16-15-22-19-33-27-29-25(18-31(22)27)21-11-5-2-6-12-21/h1-14,18-19H,15-17H2
InChIKeyMZRHHVJADYBOES-UHFFFAOYSA-N
XLogP6.09
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.56
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-fluoro-N-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]benzamide
CID 5065946
N-benzyl-N-[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]propanamide
CID 42788719
N-benzyl-3-methyl-N-[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]butanamide
CID 42788730
N-cyclopropyl-2-fluoro-N-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]benzamide
CID 4120636
N-benzyl-N-[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-3,5-bis(trifluoromethyl)benzamide
CID 4645323
1-benzyl-3-cyclohexyl-1-[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]urea
CID 3312773
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]tetradecanamide
CID 42793104
N,N-dibenzyl-6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42270462
N-benzyl-N-[2-(6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]-3-phenylpropanamide
CID 4138753
N-(2-methoxyethyl)-N-[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]-2-phenylmethoxyacetamide
CID 3311523
N-[2-(4-fluorophenyl)ethyl]-3-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)propanamide
CID 27377015

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-fluoro-N-[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]benzamide?
The IUPAC name of N-benzyl-2-fluoro-N-[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]benzamide (CID 3586558) is N-benzyl-2-fluoro-N-[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]benzamide.
What is the SMILES notation for N-benzyl-2-fluoro-N-[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]benzamide?
The canonical SMILES for N-benzyl-2-fluoro-N-[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]benzamide is O=C(c1ccccc1F)N(CCc1csc2nc(-c3ccccc3)cn12)Cc1ccccc1.
What is the InChIKey of N-benzyl-2-fluoro-N-[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]benzamide?
The InChIKey is MZRHHVJADYBOES-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22FN3OS/c28-24-14-8-7-13-23(24)26(32)30(17-20-9-3-1-4-10-20)16-15-22-19-33-27-29-25(18-31(22)27)21-11-5-2-6-12-21/h1-14,18-19H,15-17H2.
What are the key properties of N-benzyl-2-fluoro-N-[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]benzamide?
N-benzyl-2-fluoro-N-[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]benzamide has a molecular weight of 455.56 g/mol, XLogP of 6.09, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-fluoro-N-[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]benzamide is sourced from PubChem (CID 3586558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).