1-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-1-(furan-2-ylmethyl)-3-[4-(trifluoromethyl)phenyl]urea

C26H20F4N4O2S — CID 5016203

IUPAC1-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-1-(furan-2-ylmethyl)-3-[4-(trifluoromethyl)phenyl]urea
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)N(CCc1csc2nc(-c3ccc(F)cc3)cn12)Cc1ccco1
InChIInChI=1S/C26H20F4N4O2S/c27-19-7-3-17(4-8-19)23-15-34-21(16-37-25(34)32-23)11-12-33(14-22-2-1-13-36-22)24(35)31-20-9-5-18(6-10-20)26(28,29)30/h1-10,13,15-16H,11-12,14H2,(H,31,35)
InChIKeyCMKGKRSXHYOFMN-UHFFFAOYSA-N
MW528.53 g/mol
LogP7.09
Rot. Bonds7

About 1-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-1-(furan-2-ylmethyl)-3-[4-(trifluoromethyl)phenyl]urea

1-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-1-(furan-2-ylmethyl)-3-[4-(trifluoromethyl)phenyl]urea (PubChem CID 5016203) has the molecular formula C26H20F4N4O2S and a molecular weight of 528.53 g/mol. Its IUPAC name is 1-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-1-(furan-2-ylmethyl)-3-[4-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-1-(furan-2-ylmethyl)-3-[4-(trifluoromethyl)phenyl]urea
PubChem CID5016203
Molecular FormulaC26H20F4N4O2S
Molecular Weight528.53 g/mol
Exact Mass528.12
IUPAC Name1-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-1-(furan-2-ylmethyl)-3-[4-(trifluoromethyl)phenyl]urea
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)N(CCc1csc2nc(-c3ccc(F)cc3)cn12)Cc1ccco1
InChIInChI=1S/C26H20F4N4O2S/c27-19-7-3-17(4-8-19)23-15-34-21(16-37-25(34)32-23)11-12-33(14-22-2-1-13-36-22)24(35)31-20-9-5-18(6-10-20)26(28,29)30/h1-10,13,15-16H,11-12,14H2,(H,31,35)
InChIKeyCMKGKRSXHYOFMN-UHFFFAOYSA-N
XLogP7.09
TPSA62.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.53
LogP ≤ 57.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-furamide
CID 2813253
N-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]-1-benzofuran-2-carboxamide
CID 25232347
N-(5-{2-[5-(4-Fluoro-phenyl)-1-furan-2-ylmethyl-1H-imidazol-2-ylsulfanyl]-acetylamino}-2-methyl-phenyl)-propionamide
CID 650373
N-(furan-2-ylmethyl)-2-(1-methyl-5-phenylimidazol-2-yl)sulfanylacetamide
CID 894506
2-[5-(4-Fluoro-phenyl)-1-(4-methoxy-phenyl)-1H-imidazol-2-ylsulfanyl]-N-furan-2-ylmethyl-acetamide
CID 1139039
N-(4-tert-Butyl-thiazol-2-yl)-2-[1-furan-2-ylmethyl-5-(4-methoxy-phenyl)-1H-imidazol-2-ylsulfanyl]-acetamide
CID 1451092
2-(4-Furan-2-ylmethyl-5-pyridin-4-yl-4H-[1,2,4]triazol-3-ylsulfanyl)-N-(4-phenyl-thiazol-2-yl)-acetamide
CID 1733898
2-ethoxy-N-(4-(imidazo[2,1-b]thiazol-6-yl)phenyl)nicotinamide
CID 2998374
(6-(4-Fluorophenyl)-3-methylimidazo[2,1-b]thiazol-2-yl)(4-(furan-2-carbonyl)piperazin-1-yl)methanone
CID 5310375
6-[[4-[1-amino-2-[4-(trifluoromethyl)phenyl]ethyl]-1,3-thiazol-2-yl]amino]-N-(furan-2-ylmethyl)pyridine-3-carboxamide
CID 49791358
N-[4-(4-Fluoro-phenyl)-thiazol-2-yl]-2-(4-furan-2-ylmethyl-5-pyridin-3-yl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetamide
CID 648866
2-[5-(4-Fluoro-phenyl)-1-methyl-1H-imidazol-2-ylsulfanyl]-N-furan-2-ylmethyl-acetamide
CID 650436

Frequently Asked Questions

What is the IUPAC name of 1-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-1-(furan-2-ylmethyl)-3-[4-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-1-(furan-2-ylmethyl)-3-[4-(trifluoromethyl)phenyl]urea (CID 5016203) is 1-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-1-(furan-2-ylmethyl)-3-[4-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-1-(furan-2-ylmethyl)-3-[4-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-1-(furan-2-ylmethyl)-3-[4-(trifluoromethyl)phenyl]urea is O=C(Nc1ccc(C(F)(F)F)cc1)N(CCc1csc2nc(-c3ccc(F)cc3)cn12)Cc1ccco1.
What is the InChIKey of 1-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-1-(furan-2-ylmethyl)-3-[4-(trifluoromethyl)phenyl]urea?
The InChIKey is CMKGKRSXHYOFMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20F4N4O2S/c27-19-7-3-17(4-8-19)23-15-34-21(16-37-25(34)32-23)11-12-33(14-22-2-1-13-36-22)24(35)31-20-9-5-18(6-10-20)26(28,29)30/h1-10,13,15-16H,11-12,14H2,(H,31,35).
What are the key properties of 1-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-1-(furan-2-ylmethyl)-3-[4-(trifluoromethyl)phenyl]urea?
1-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-1-(furan-2-ylmethyl)-3-[4-(trifluoromethyl)phenyl]urea has a molecular weight of 528.53 g/mol, XLogP of 7.09, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-1-(furan-2-ylmethyl)-3-[4-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 5016203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).