N-[6-bromo-2-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridin-3-yl]-4-(4-chlorophenyl)-1,3-thiazol-2-amine

C18H11BrClF3N4S — CID 90446842

IUPACN-[6-bromo-2-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridin-3-yl]-4-(4-chlorophenyl)-1,3-thiazol-2-amine
SMILESFC(F)(F)Cc1nc2ccc(Br)cn2c1Nc1nc(-c2ccc(Cl)cc2)cs1
InChIInChI=1S/C18H11BrClF3N4S/c19-11-3-6-15-24-13(7-18(21,22)23)16(27(15)8-11)26-17-25-14(9-28-17)10-1-4-12(20)5-2-10/h1-6,8-9H,7H2,(H,25,26)
InChIKeyHLDSFCMMVVGDBV-UHFFFAOYSA-N
MW487.73 g/mol
LogP6.72
Rot. Bonds4

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

N-[6-bromo-2-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridin-3-yl]-4-(4-chlorophenyl)-1,3-thiazol-2-amine (PubChem CID 90446842) has the molecular formula C18H11BrClF3N4S and a molecular weight of 487.73 g/mol. Its IUPAC name is N-[6-bromo-2-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridin-3-yl]-4-(4-chlorophenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[6-bromo-2-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridin-3-yl]-4-(4-chlorophenyl)-1,3-thiazol-2-amine
PubChem CID90446842
Molecular FormulaC18H11BrClF3N4S
Molecular Weight487.73 g/mol
Exact Mass485.95
IUPAC NameN-[6-bromo-2-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridin-3-yl]-4-(4-chlorophenyl)-1,3-thiazol-2-amine
SMILESFC(F)(F)Cc1nc2ccc(Br)cn2c1Nc1nc(-c2ccc(Cl)cc2)cs1
InChIInChI=1S/C18H11BrClF3N4S/c19-11-3-6-15-24-13(7-18(21,22)23)16(27(15)8-11)26-17-25-14(9-28-17)10-1-4-12(20)5-2-10/h1-6,8-9H,7H2,(H,25,26)
InChIKeyHLDSFCMMVVGDBV-UHFFFAOYSA-N
XLogP6.72
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.73
LogP ≤ 56.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-bromophenyl)-4-(4-chlorophenyl)-1,3-thiazol-2-amine
CID 3551547
N-[3,5-bis(trifluoromethyl)phenyl]-4-(4-chlorophenyl)-1,3-thiazol-2-amine
CID 118708822
4-(4-bromophenyl)-N-(2,4,6-trichlorophenyl)-1,3-thiazol-2-amine
CID 151197403
4-(4-chlorophenyl)-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-amine
CID 4149421
N-(4-chlorophenyl)-4-(4-iodophenyl)-1,3-thiazol-2-amine
CID 2193688
N-(4-bromo-2-chlorophenyl)-4-(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine;hydrobromide
CID 122509672
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-chlorobenzenesulfonamide
CID 91966356
[4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]phenyl]methanol
CID 118713961
6-bromo-2-(4-chlorophenyl)-3-[[2-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine
CID 51360604
4-(4-bromophenyl)-N-(4,6-dimethylpyrimidin-2-yl)-1,3-thiazol-2-amine
CID 1211245
N-(3,5-dichlorophenyl)-4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
CID 18507812
4-(4-aminophenyl)-N-(2,5-dichlorophenyl)-1,3-thiazol-2-amine
CID 810304

Frequently Asked Questions

What is the IUPAC name of N-[6-bromo-2-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridin-3-yl]-4-(4-chlorophenyl)-1,3-thiazol-2-amine?
The IUPAC name of N-[6-bromo-2-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridin-3-yl]-4-(4-chlorophenyl)-1,3-thiazol-2-amine (CID 90446842) is N-[6-bromo-2-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridin-3-yl]-4-(4-chlorophenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-[6-bromo-2-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridin-3-yl]-4-(4-chlorophenyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-[6-bromo-2-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridin-3-yl]-4-(4-chlorophenyl)-1,3-thiazol-2-amine is FC(F)(F)Cc1nc2ccc(Br)cn2c1Nc1nc(-c2ccc(Cl)cc2)cs1.
What is the InChIKey of N-[6-bromo-2-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridin-3-yl]-4-(4-chlorophenyl)-1,3-thiazol-2-amine?
The InChIKey is HLDSFCMMVVGDBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11BrClF3N4S/c19-11-3-6-15-24-13(7-18(21,22)23)16(27(15)8-11)26-17-25-14(9-28-17)10-1-4-12(20)5-2-10/h1-6,8-9H,7H2,(H,25,26).
What are the key properties of N-[6-bromo-2-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridin-3-yl]-4-(4-chlorophenyl)-1,3-thiazol-2-amine?
N-[6-bromo-2-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridin-3-yl]-4-(4-chlorophenyl)-1,3-thiazol-2-amine has a molecular weight of 487.73 g/mol, XLogP of 6.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-bromo-2-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridin-3-yl]-4-(4-chlorophenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 90446842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).