2-(5-bromo-2-fluorophenyl)-4-pyrrolidin-3-yl-1,3-thiazole

C13H12BrFN2S — CID 116888662

IUPAC2-(5-bromo-2-fluorophenyl)-4-pyrrolidin-3-yl-1,3-thiazole
SMILESFc1ccc(Br)cc1-c1nc(C2CCNC2)cs1
InChIInChI=1S/C13H12BrFN2S/c14-9-1-2-11(15)10(5-9)13-17-12(7-18-13)8-3-4-16-6-8/h1-2,5,7-8,16H,3-4,6H2
InChIKeyGZTDNZARSVDIES-UHFFFAOYSA-N
MW327.22 g/mol
LogP3.79
Rot. Bonds2

About 2-(5-bromo-2-fluorophenyl)-4-pyrrolidin-3-yl-1,3-thiazole

2-(5-bromo-2-fluorophenyl)-4-pyrrolidin-3-yl-1,3-thiazole (PubChem CID 116888662) has the molecular formula C13H12BrFN2S and a molecular weight of 327.22 g/mol. Its IUPAC name is 2-(5-bromo-2-fluorophenyl)-4-pyrrolidin-3-yl-1,3-thiazole.

Molecular Properties

Compound Name2-(5-bromo-2-fluorophenyl)-4-pyrrolidin-3-yl-1,3-thiazole
PubChem CID116888662
Molecular FormulaC13H12BrFN2S
Molecular Weight327.22 g/mol
Exact Mass325.99
IUPAC Name2-(5-bromo-2-fluorophenyl)-4-pyrrolidin-3-yl-1,3-thiazole
SMILESFc1ccc(Br)cc1-c1nc(C2CCNC2)cs1
InChIInChI=1S/C13H12BrFN2S/c14-9-1-2-11(15)10(5-9)13-17-12(7-18-13)8-3-4-16-6-8/h1-2,5,7-8,16H,3-4,6H2
InChIKeyGZTDNZARSVDIES-UHFFFAOYSA-N
XLogP3.79
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.22
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(5-bromo-2-fluorophenyl)-4-pyrrolidin-3-yl-1,3-thiazole 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

4-(azetidin-3-yl)-2-(2,5-difluorophenyl)-1,3-thiazole
CID 116888592
2-(2-fluorophenyl)-4-piperidin-4-yl-1,3-thiazole
CID 116888734
2-bromo-4-pyrrolidin-3-yl-1,3-thiazole
CID 115039273
2-(5-bromo-2-fluorophenyl)-1,3-thiazol-4-ol
CID 116889834
2-(2-bromophenyl)-4-piperidin-3-yl-1,3-thiazole
CID 116888718
2-(5-bromo-2-fluorophenyl)-4-chloro-1,3-thiazole
CID 83158213
2,4-di(pyrrolidin-3-yl)-1,3-thiazole
CID 115034162
2-(5-bromo-2-fluorophenyl)-4-(2-chloroethyl)-1,3-thiazole
CID 116889010
1-[2-(5-bromo-2-fluorophenyl)-1,3-thiazol-4-yl]propan-2-amine
CID 116888202
4-pyrrolidin-3-yl-1,3-thiazol-2-amine;dihydrochloride
CID 171340444
2-(4-chloro-2-fluorophenyl)-4-pyrrolidin-2-yl-1,3-thiazole
CID 114456904
2-(5-bromo-2-methylphenyl)-4-(pyrrolidin-3-ylmethyl)-1,3-thiazole
CID 116888773

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-fluorophenyl)-4-pyrrolidin-3-yl-1,3-thiazole?
The IUPAC name of 2-(5-bromo-2-fluorophenyl)-4-pyrrolidin-3-yl-1,3-thiazole (CID 116888662) is 2-(5-bromo-2-fluorophenyl)-4-pyrrolidin-3-yl-1,3-thiazole.
What is the SMILES notation for 2-(5-bromo-2-fluorophenyl)-4-pyrrolidin-3-yl-1,3-thiazole?
The canonical SMILES for 2-(5-bromo-2-fluorophenyl)-4-pyrrolidin-3-yl-1,3-thiazole is Fc1ccc(Br)cc1-c1nc(C2CCNC2)cs1.
What is the InChIKey of 2-(5-bromo-2-fluorophenyl)-4-pyrrolidin-3-yl-1,3-thiazole?
The InChIKey is GZTDNZARSVDIES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrFN2S/c14-9-1-2-11(15)10(5-9)13-17-12(7-18-13)8-3-4-16-6-8/h1-2,5,7-8,16H,3-4,6H2.
What are the key properties of 2-(5-bromo-2-fluorophenyl)-4-pyrrolidin-3-yl-1,3-thiazole?
2-(5-bromo-2-fluorophenyl)-4-pyrrolidin-3-yl-1,3-thiazole has a molecular weight of 327.22 g/mol, XLogP of 3.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-fluorophenyl)-4-pyrrolidin-3-yl-1,3-thiazole is sourced from PubChem (CID 116888662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).