2-bromo-4-fluoro-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)aniline

C12H9BrFN3S — CID 113288753

IUPAC2-bromo-4-fluoro-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)aniline
SMILESFc1ccc(NCc2cn3ccsc3n2)c(Br)c1
InChIInChI=1S/C12H9BrFN3S/c13-10-5-8(14)1-2-11(10)15-6-9-7-17-3-4-18-12(17)16-9/h1-5,7,15H,6H2
InChIKeyPLGRVMDBBDSULL-UHFFFAOYSA-N
MW326.19 g/mol
LogP3.91
Rot. Bonds3

About 2-bromo-4-fluoro-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)aniline

2-bromo-4-fluoro-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)aniline (PubChem CID 113288753) has the molecular formula C12H9BrFN3S and a molecular weight of 326.19 g/mol. Its IUPAC name is 2-bromo-4-fluoro-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)aniline.

Molecular Properties

Compound Name2-bromo-4-fluoro-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)aniline
PubChem CID113288753
Molecular FormulaC12H9BrFN3S
Molecular Weight326.19 g/mol
Exact Mass324.97
IUPAC Name2-bromo-4-fluoro-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)aniline
SMILESFc1ccc(NCc2cn3ccsc3n2)c(Br)c1
InChIInChI=1S/C12H9BrFN3S/c13-10-5-8(14)1-2-11(10)15-6-9-7-17-3-4-18-12(17)16-9/h1-5,7,15H,6H2
InChIKeyPLGRVMDBBDSULL-UHFFFAOYSA-N
XLogP3.91
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.19
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-bromo-4-fluoro-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)aniline with MolForge

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

Launch Full Analysis

Related Compounds

5-fluoro-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)benzonitrile
CID 82016728
4-chloro-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-iodoaniline
CID 107634891
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methylaniline
CID 113288748
5-fluoro-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfinyl)aniline
CID 115335436
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-(trifluoromethyl)aniline
CID 115331445
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-benzothiophen-5-amine
CID 115331690
2,2-difluoro-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)ethanamine
CID 115406811
7-[(4-fluoro-2-methylanilino)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 17458961
7-[(4-bromo-2-fluoroanilino)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 46678180
(1R)-1-(4-fluorophenyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)propan-1-amine
CID 97230778
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1,3-benzothiazol-6-amine
CID 107804908
6-(chloromethyl)imidazo[2,1-b][1,3]thiazole
CID 18804066

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-fluoro-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)aniline?
The IUPAC name of 2-bromo-4-fluoro-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)aniline (CID 113288753) is 2-bromo-4-fluoro-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)aniline.
What is the SMILES notation for 2-bromo-4-fluoro-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)aniline?
The canonical SMILES for 2-bromo-4-fluoro-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)aniline is Fc1ccc(NCc2cn3ccsc3n2)c(Br)c1.
What is the InChIKey of 2-bromo-4-fluoro-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)aniline?
The InChIKey is PLGRVMDBBDSULL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrFN3S/c13-10-5-8(14)1-2-11(10)15-6-9-7-17-3-4-18-12(17)16-9/h1-5,7,15H,6H2.
What are the key properties of 2-bromo-4-fluoro-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)aniline?
2-bromo-4-fluoro-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)aniline has a molecular weight of 326.19 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-fluoro-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)aniline is sourced from PubChem (CID 113288753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).