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

C18H11BrFN3OS — CID 42270425

IUPACN-(4-bromophenyl)-6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
SMILESO=C(Nc1ccc(Br)cc1)c1csc2nc(-c3ccc(F)cc3)cn12
InChIInChI=1S/C18H11BrFN3OS/c19-12-3-7-14(8-4-12)21-17(24)16-10-25-18-22-15(9-23(16)18)11-1-5-13(20)6-2-11/h1-10H,(H,21,24)
InChIKeyRJDJOPAPUTUHTI-UHFFFAOYSA-N
MW416.28 g/mol
LogP5.22
Rot. Bonds3

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

N-(4-bromophenyl)-6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide (PubChem CID 42270425) has the molecular formula C18H11BrFN3OS and a molecular weight of 416.28 g/mol. Its IUPAC name is N-(4-bromophenyl)-6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
PubChem CID42270425
Molecular FormulaC18H11BrFN3OS
Molecular Weight416.28 g/mol
Exact Mass414.98
IUPAC NameN-(4-bromophenyl)-6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
SMILESO=C(Nc1ccc(Br)cc1)c1csc2nc(-c3ccc(F)cc3)cn12
InChIInChI=1S/C18H11BrFN3OS/c19-12-3-7-14(8-4-12)21-17(24)16-10-25-18-22-15(9-23(16)18)11-1-5-13(20)6-2-11/h1-10H,(H,21,24)
InChIKeyRJDJOPAPUTUHTI-UHFFFAOYSA-N
XLogP5.22
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.28
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide?
The IUPAC name of N-(4-bromophenyl)-6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide (CID 42270425) is N-(4-bromophenyl)-6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)-6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide?
The canonical SMILES for N-(4-bromophenyl)-6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide is O=C(Nc1ccc(Br)cc1)c1csc2nc(-c3ccc(F)cc3)cn12.
What is the InChIKey of N-(4-bromophenyl)-6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide?
The InChIKey is RJDJOPAPUTUHTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11BrFN3OS/c19-12-3-7-14(8-4-12)21-17(24)16-10-25-18-22-15(9-23(16)18)11-1-5-13(20)6-2-11/h1-10H,(H,21,24).
What are the key properties of N-(4-bromophenyl)-6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide?
N-(4-bromophenyl)-6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide has a molecular weight of 416.28 g/mol, XLogP of 5.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide is sourced from PubChem (CID 42270425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).