N,N-dibenzyl-6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide

C26H20FN3OS — CID 42270462

IUPACN,N-dibenzyl-6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
SMILESO=C(c1csc2nc(-c3ccc(F)cc3)cn12)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C26H20FN3OS/c27-22-13-11-21(12-14-22)23-17-30-24(18-32-26(30)28-23)25(31)29(15-19-7-3-1-4-8-19)16-20-9-5-2-6-10-20/h1-14,17-18H,15-16H2
InChIKeyLHQFSPAZZIEJBC-UHFFFAOYSA-N
MW441.53 g/mol
LogP6.04
Rot. Bonds6

About N,N-dibenzyl-6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide

N,N-dibenzyl-6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide (PubChem CID 42270462) has the molecular formula C26H20FN3OS and a molecular weight of 441.53 g/mol. Its IUPAC name is N,N-dibenzyl-6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide.

Molecular Properties

Compound NameN,N-dibenzyl-6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
PubChem CID42270462
Molecular FormulaC26H20FN3OS
Molecular Weight441.53 g/mol
Exact Mass441.13
IUPAC NameN,N-dibenzyl-6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
SMILESO=C(c1csc2nc(-c3ccc(F)cc3)cn12)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C26H20FN3OS/c27-22-13-11-21(12-14-22)23-17-30-24(18-32-26(30)28-23)25(31)29(15-19-7-3-1-4-8-19)16-20-9-5-2-6-10-20/h1-14,17-18H,15-16H2
InChIKeyLHQFSPAZZIEJBC-UHFFFAOYSA-N
XLogP6.04
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.53
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N,6-diphenylimidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42271548
N-benzyl-2-fluoro-N-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]benzamide
CID 5065946
(4-benzylpiperidin-1-yl)-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]methanone
CID 42270347
N-benzyl-2-fluoro-N-[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]benzamide
CID 3586558
methyl (2S)-2-[[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]amino]-3-phenylpropanoate
CID 42457098
N-[[(2R)-oxolan-2-yl]methyl]-6-phenyl-N-(pyridin-4-ylmethyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 25285955
N-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(furan-2-ylmethyl)benzamide
CID 5057421
6-(4-fluorophenyl)-N-methyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 56711679
6-(4-fluorophenyl)-N-methyl-N-[(1S)-1-pyridin-3-ylpropyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 95226358
N-benzyl-N-[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]propanamide
CID 42788719
N-benzyl-6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42270548
N-ethyl-6-(4-methoxyphenyl)-N-phenylimidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42270700

Frequently Asked Questions

What is the IUPAC name of N,N-dibenzyl-6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide?
The IUPAC name of N,N-dibenzyl-6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide (CID 42270462) is N,N-dibenzyl-6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide.
What is the SMILES notation for N,N-dibenzyl-6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide?
The canonical SMILES for N,N-dibenzyl-6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide is O=C(c1csc2nc(-c3ccc(F)cc3)cn12)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of N,N-dibenzyl-6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide?
The InChIKey is LHQFSPAZZIEJBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20FN3OS/c27-22-13-11-21(12-14-22)23-17-30-24(18-32-26(30)28-23)25(31)29(15-19-7-3-1-4-8-19)16-20-9-5-2-6-10-20/h1-14,17-18H,15-16H2.
What are the key properties of N,N-dibenzyl-6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide?
N,N-dibenzyl-6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide has a molecular weight of 441.53 g/mol, XLogP of 6.04, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzyl-6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide is sourced from PubChem (CID 42270462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).