N-(1,3-benzodioxol-5-yl)-4-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-amine;hydrobromide

C18H12BrF3N4O2S — CID 122509655

IUPACN-(1,3-benzodioxol-5-yl)-4-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-amine;hydrobromide
SMILESBr.FC(F)(F)c1nc2ccccn2c1-c1csc(Nc2ccc3c(c2)OCO3)n1
InChIInChI=1S/C18H11F3N4O2S.BrH/c19-18(20,21)16-15(25-6-2-1-3-14(25)24-16)11-8-28-17(23-11)22-10-4-5-12-13(7-10)27-9-26-12;/h1-8H,9H2,(H,22,23);1H
InChIKeyWALCNLZUKJANKY-UHFFFAOYSA-N
MW485.29 g/mol
LogP5.53
Rot. Bonds3

About N-(1,3-benzodioxol-5-yl)-4-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-amine;hydrobromide

N-(1,3-benzodioxol-5-yl)-4-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-amine;hydrobromide (PubChem CID 122509655) has the molecular formula C18H12BrF3N4O2S and a molecular weight of 485.29 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-4-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-amine;hydrobromide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-4-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-amine;hydrobromide
PubChem CID122509655
Molecular FormulaC18H12BrF3N4O2S
Molecular Weight485.29 g/mol
Exact Mass483.98
IUPAC NameN-(1,3-benzodioxol-5-yl)-4-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-amine;hydrobromide
SMILESBr.FC(F)(F)c1nc2ccccn2c1-c1csc(Nc2ccc3c(c2)OCO3)n1
InChIInChI=1S/C18H11F3N4O2S.BrH/c19-18(20,21)16-15(25-6-2-1-3-14(25)24-16)11-8-28-17(23-11)22-10-4-5-12-13(7-10)27-9-26-12;/h1-8H,9H2,(H,22,23);1H
InChIKeyWALCNLZUKJANKY-UHFFFAOYSA-N
XLogP5.53
TPSA60.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.29
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(1,3-benzodioxol-5-yl)-4-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-amine;hydrobromide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-4-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-amine;hydrobromide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-4-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-amine;hydrobromide (CID 122509655) is N-(1,3-benzodioxol-5-yl)-4-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-amine;hydrobromide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-4-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-amine;hydrobromide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-4-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-amine;hydrobromide is Br.FC(F)(F)c1nc2ccccn2c1-c1csc(Nc2ccc3c(c2)OCO3)n1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-4-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-amine;hydrobromide?
The InChIKey is WALCNLZUKJANKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F3N4O2S.BrH/c19-18(20,21)16-15(25-6-2-1-3-14(25)24-16)11-8-28-17(23-11)22-10-4-5-12-13(7-10)27-9-26-12;/h1-8H,9H2,(H,22,23);1H.
What are the key properties of N-(1,3-benzodioxol-5-yl)-4-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-amine;hydrobromide?
N-(1,3-benzodioxol-5-yl)-4-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-amine;hydrobromide has a molecular weight of 485.29 g/mol, XLogP of 5.53, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-4-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-amine;hydrobromide is sourced from PubChem (CID 122509655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).