N-[6-bromo-2-(2-phenylethenyl)imidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine

C25H18BrFN4S — CID 123169998

IUPACN-[6-bromo-2-(2-phenylethenyl)imidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine
SMILESCN(c1nc(-c2ccc(F)cc2)cs1)c1c(C=Cc2ccccc2)nc2ccc(Br)cn12
InChIInChI=1S/C25H18BrFN4S/c1-30(25-29-22(16-32-25)18-8-11-20(27)12-9-18)24-21(13-7-17-5-3-2-4-6-17)28-23-14-10-19(26)15-31(23)24/h2-16H,1H3
InChIKeyLGCHCYHSWGIUCG-UHFFFAOYSA-N
MW505.42 g/mol
LogP7.30
Rot. Bonds5

About N-[6-bromo-2-(2-phenylethenyl)imidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine

N-[6-bromo-2-(2-phenylethenyl)imidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine (PubChem CID 123169998) has the molecular formula C25H18BrFN4S and a molecular weight of 505.42 g/mol. Its IUPAC name is N-[6-bromo-2-(2-phenylethenyl)imidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[6-bromo-2-(2-phenylethenyl)imidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine
PubChem CID123169998
Molecular FormulaC25H18BrFN4S
Molecular Weight505.42 g/mol
Exact Mass504.04
IUPAC NameN-[6-bromo-2-(2-phenylethenyl)imidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine
SMILESCN(c1nc(-c2ccc(F)cc2)cs1)c1c(C=Cc2ccccc2)nc2ccc(Br)cn12
InChIInChI=1S/C25H18BrFN4S/c1-30(25-29-22(16-32-25)18-8-11-20(27)12-9-18)24-21(13-7-17-5-3-2-4-6-17)28-23-14-10-19(26)15-31(23)24/h2-16H,1H3
InChIKeyLGCHCYHSWGIUCG-UHFFFAOYSA-N
XLogP7.30
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.42
LogP ≤ 57.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-bromo-2-[(E)-2-phenylethenyl]imidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine
CID 90420599
4-(4-fluorophenyl)-N-methyl-N-[6-methyl-2-[(E)-2-phenylethenyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-amine
CID 130283088
N-(6-bromo-2-ethylimidazo[1,2-a]pyridin-3-yl)-4-(6-fluoro-3-pyridinyl)-N-methyl-1,3-thiazol-2-amine
CID 130283662
N-(2-ethyl-6-iodoimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine
CID 90446713
N-(2-ethyl-6-pentan-2-ylimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine
CID 123821766
4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperazine-1-carboxylic acid
CID 130273086
1-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperazin-1-yl]propan-1-one
CID 78425994
N-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-ethylimidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine
CID 90446897
N-(2-ethyl-6,8-dimethylimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine
CID 155469556
2-(dimethylamino)-1-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]ethanone
CID 90421240
2-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]acetic acid
CID 130274172
2-(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)-4-phenyl-1,3-thiazole
CID 141277938

Frequently Asked Questions

What is the IUPAC name of N-[6-bromo-2-(2-phenylethenyl)imidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine?
The IUPAC name of N-[6-bromo-2-(2-phenylethenyl)imidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine (CID 123169998) is N-[6-bromo-2-(2-phenylethenyl)imidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[6-bromo-2-(2-phenylethenyl)imidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[6-bromo-2-(2-phenylethenyl)imidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine is CN(c1nc(-c2ccc(F)cc2)cs1)c1c(C=Cc2ccccc2)nc2ccc(Br)cn12.
What is the InChIKey of N-[6-bromo-2-(2-phenylethenyl)imidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine?
The InChIKey is LGCHCYHSWGIUCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18BrFN4S/c1-30(25-29-22(16-32-25)18-8-11-20(27)12-9-18)24-21(13-7-17-5-3-2-4-6-17)28-23-14-10-19(26)15-31(23)24/h2-16H,1H3.
What are the key properties of N-[6-bromo-2-(2-phenylethenyl)imidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine?
N-[6-bromo-2-(2-phenylethenyl)imidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine has a molecular weight of 505.42 g/mol, XLogP of 7.30, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-bromo-2-(2-phenylethenyl)imidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 123169998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).