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

C26H21F3N4O2S — CID 4571901

IUPAC1-(furan-2-ylmethyl)-1-[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]-3-[4-(trifluoromethyl)phenyl]urea
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)N(CCc1csc2nc(-c3ccccc3)cn12)Cc1ccco1
InChIInChI=1S/C26H21F3N4O2S/c27-26(28,29)19-8-10-20(11-9-19)30-24(34)32(15-22-7-4-14-35-22)13-12-21-17-36-25-31-23(16-33(21)25)18-5-2-1-3-6-18/h1-11,14,16-17H,12-13,15H2,(H,30,34)
InChIKeyNWXNOSXGULIXSB-UHFFFAOYSA-N
MW510.54 g/mol
LogP6.95
Rot. Bonds7

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

1-(furan-2-ylmethyl)-1-[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]-3-[4-(trifluoromethyl)phenyl]urea (PubChem CID 4571901) has the molecular formula C26H21F3N4O2S and a molecular weight of 510.54 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-1-[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]-3-[4-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-1-[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]-3-[4-(trifluoromethyl)phenyl]urea
PubChem CID4571901
Molecular FormulaC26H21F3N4O2S
Molecular Weight510.54 g/mol
Exact Mass510.13
IUPAC Name1-(furan-2-ylmethyl)-1-[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]-3-[4-(trifluoromethyl)phenyl]urea
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)N(CCc1csc2nc(-c3ccccc3)cn12)Cc1ccco1
InChIInChI=1S/C26H21F3N4O2S/c27-26(28,29)19-8-10-20(11-9-19)30-24(34)32(15-22-7-4-14-35-22)13-12-21-17-36-25-31-23(16-33(21)25)18-5-2-1-3-6-18/h1-11,14,16-17H,12-13,15H2,(H,30,34)
InChIKeyNWXNOSXGULIXSB-UHFFFAOYSA-N
XLogP6.95
TPSA62.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.54
LogP ≤ 56.95
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
2-(3-Benzyl-3H-imidazo[4,5-b]pyridin-2-ylsulfanyl)-N-furan-2-ylmethyl-acetamide
CID 646123
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
N-[4-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-1,3-thiazol-2-yl]-6-oxo-1H-pyridine-3-carboxamide
CID 2458702
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

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-1-[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]-3-[4-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-(furan-2-ylmethyl)-1-[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]-3-[4-(trifluoromethyl)phenyl]urea (CID 4571901) is 1-(furan-2-ylmethyl)-1-[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]-3-[4-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-(furan-2-ylmethyl)-1-[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]-3-[4-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-(furan-2-ylmethyl)-1-[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]-3-[4-(trifluoromethyl)phenyl]urea is O=C(Nc1ccc(C(F)(F)F)cc1)N(CCc1csc2nc(-c3ccccc3)cn12)Cc1ccco1.
What is the InChIKey of 1-(furan-2-ylmethyl)-1-[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]-3-[4-(trifluoromethyl)phenyl]urea?
The InChIKey is NWXNOSXGULIXSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21F3N4O2S/c27-26(28,29)19-8-10-20(11-9-19)30-24(34)32(15-22-7-4-14-35-22)13-12-21-17-36-25-31-23(16-33(21)25)18-5-2-1-3-6-18/h1-11,14,16-17H,12-13,15H2,(H,30,34).
What are the key properties of 1-(furan-2-ylmethyl)-1-[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]-3-[4-(trifluoromethyl)phenyl]urea?
1-(furan-2-ylmethyl)-1-[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]-3-[4-(trifluoromethyl)phenyl]urea has a molecular weight of 510.54 g/mol, XLogP of 6.95, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-1-[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]-3-[4-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 4571901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).