1-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-1-(2-methoxyethyl)-3-(2-methylphenyl)urea

C24H25FN4O2S — CID 4291975

IUPAC1-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-1-(2-methoxyethyl)-3-(2-methylphenyl)urea
SMILESCOCCN(CCc1csc2nc(-c3ccc(F)cc3)cn12)C(=O)Nc1ccccc1C
InChIInChI=1S/C24H25FN4O2S/c1-17-5-3-4-6-21(17)26-23(30)28(13-14-31-2)12-11-20-16-32-24-27-22(15-29(20)24)18-7-9-19(25)10-8-18/h3-10,15-16H,11-14H2,1-2H3,(H,26,30)
InChIKeyAOXBFFSPCOWOMO-UHFFFAOYSA-N
MW452.56 g/mol
LogP5.23
Rot. Bonds8

About 1-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-1-(2-methoxyethyl)-3-(2-methylphenyl)urea

1-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-1-(2-methoxyethyl)-3-(2-methylphenyl)urea (PubChem CID 4291975) has the molecular formula C24H25FN4O2S and a molecular weight of 452.56 g/mol. Its IUPAC name is 1-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-1-(2-methoxyethyl)-3-(2-methylphenyl)urea.

Molecular Properties

Compound Name1-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-1-(2-methoxyethyl)-3-(2-methylphenyl)urea
PubChem CID4291975
Molecular FormulaC24H25FN4O2S
Molecular Weight452.56 g/mol
Exact Mass452.17
IUPAC Name1-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-1-(2-methoxyethyl)-3-(2-methylphenyl)urea
SMILESCOCCN(CCc1csc2nc(-c3ccc(F)cc3)cn12)C(=O)Nc1ccccc1C
InChIInChI=1S/C24H25FN4O2S/c1-17-5-3-4-6-21(17)26-23(30)28(13-14-31-2)12-11-20-16-32-24-27-22(15-29(20)24)18-7-9-19(25)10-8-18/h3-10,15-16H,11-14H2,1-2H3,(H,26,30)
InChIKeyAOXBFFSPCOWOMO-UHFFFAOYSA-N
XLogP5.23
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.56
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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-(2-methoxyethyl)-3-(2-methylphenyl)urea?
The IUPAC name of 1-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-1-(2-methoxyethyl)-3-(2-methylphenyl)urea (CID 4291975) is 1-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-1-(2-methoxyethyl)-3-(2-methylphenyl)urea.
What is the SMILES notation for 1-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-1-(2-methoxyethyl)-3-(2-methylphenyl)urea?
The canonical SMILES for 1-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-1-(2-methoxyethyl)-3-(2-methylphenyl)urea is COCCN(CCc1csc2nc(-c3ccc(F)cc3)cn12)C(=O)Nc1ccccc1C.
What is the InChIKey of 1-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-1-(2-methoxyethyl)-3-(2-methylphenyl)urea?
The InChIKey is AOXBFFSPCOWOMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4O2S/c1-17-5-3-4-6-21(17)26-23(30)28(13-14-31-2)12-11-20-16-32-24-27-22(15-29(20)24)18-7-9-19(25)10-8-18/h3-10,15-16H,11-14H2,1-2H3,(H,26,30).
What are the key properties of 1-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-1-(2-methoxyethyl)-3-(2-methylphenyl)urea?
1-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-1-(2-methoxyethyl)-3-(2-methylphenyl)urea has a molecular weight of 452.56 g/mol, XLogP of 5.23, 8 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-(2-methoxyethyl)-3-(2-methylphenyl)urea is sourced from PubChem (CID 4291975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).