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

C19H12BrF2N3OS — CID 41348877

IUPACN-(4-bromo-2-fluorophenyl)-6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide
SMILESCc1c(C(=O)Nc2ccc(Br)cc2F)sc2nc(-c3ccc(F)cc3)cn12
InChIInChI=1S/C19H12BrF2N3OS/c1-10-17(18(26)23-15-7-4-12(20)8-14(15)22)27-19-24-16(9-25(10)19)11-2-5-13(21)6-3-11/h2-9H,1H3,(H,23,26)
InChIKeyCUDVAMBFWLGHMX-UHFFFAOYSA-N
MW448.29 g/mol
LogP5.66
Rot. Bonds3

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

N-(4-bromo-2-fluorophenyl)-6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide (PubChem CID 41348877) has the molecular formula C19H12BrF2N3OS and a molecular weight of 448.29 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide
PubChem CID41348877
Molecular FormulaC19H12BrF2N3OS
Molecular Weight448.29 g/mol
Exact Mass446.99
IUPAC NameN-(4-bromo-2-fluorophenyl)-6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide
SMILESCc1c(C(=O)Nc2ccc(Br)cc2F)sc2nc(-c3ccc(F)cc3)cn12
InChIInChI=1S/C19H12BrF2N3OS/c1-10-17(18(26)23-15-7-4-12(20)8-14(15)22)27-19-24-16(9-25(10)19)11-2-5-13(21)6-3-11/h2-9H,1H3,(H,23,26)
InChIKeyCUDVAMBFWLGHMX-UHFFFAOYSA-N
XLogP5.66
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.29
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,4-difluorophenyl)-6-(4-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 20861749
N-(2-fluorophenyl)-6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 20861701
N-(2,5-dimethylphenyl)-6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 22578767
N-(2,3-dimethylphenyl)-6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 27542845
N-(2,6-dimethylphenyl)-6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 41348866
1-[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]ethanone
CID 19224521
6-(4-fluorophenyl)-3-methyl-N-(3-methylbutyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 39084778
N-(3-fluoro-4-methylphenyl)-6-(4-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 41348922
N-[4-(acetylsulfamoyl)phenyl]-6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 43953478
6-(4-fluorophenyl)-N-[(4-iodophenyl)methyl]-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 41348878
6-(4-fluorophenyl)-N'-hydroxy-3-methylimidazo[2,1-b][1,3]thiazole-2-carboximidamide
CID 74381335
N-[2-[[4-(2,2-dimethylpropanoylamino)benzoyl]amino]ethyl]-6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 121031541

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide (CID 41348877) is N-(4-bromo-2-fluorophenyl)-6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide is Cc1c(C(=O)Nc2ccc(Br)cc2F)sc2nc(-c3ccc(F)cc3)cn12.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide?
The InChIKey is CUDVAMBFWLGHMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12BrF2N3OS/c1-10-17(18(26)23-15-7-4-12(20)8-14(15)22)27-19-24-16(9-25(10)19)11-2-5-13(21)6-3-11/h2-9H,1H3,(H,23,26).
What are the key properties of N-(4-bromo-2-fluorophenyl)-6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide?
N-(4-bromo-2-fluorophenyl)-6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide has a molecular weight of 448.29 g/mol, XLogP of 5.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide is sourced from PubChem (CID 41348877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).