5-[[2-(3-bromo-5-fluorophenyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine

C14H15BrFN3S — CID 120904624

IUPAC5-[[2-(3-bromo-5-fluorophenyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine
SMILESNc1ncc(CN2CCCC2c2cc(F)cc(Br)c2)s1
InChIInChI=1S/C14H15BrFN3S/c15-10-4-9(5-11(16)6-10)13-2-1-3-19(13)8-12-7-18-14(17)20-12/h4-7,13H,1-3,8H2,(H2,17,18)
InChIKeyLYUQCDZYMFUQOD-UHFFFAOYSA-N
MW356.26 g/mol
LogP3.96
Rot. Bonds3

About 5-[[2-(3-bromo-5-fluorophenyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine

5-[[2-(3-bromo-5-fluorophenyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine (PubChem CID 120904624) has the molecular formula C14H15BrFN3S and a molecular weight of 356.26 g/mol. Its IUPAC name is 5-[[2-(3-bromo-5-fluorophenyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[[2-(3-bromo-5-fluorophenyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine
PubChem CID120904624
Molecular FormulaC14H15BrFN3S
Molecular Weight356.26 g/mol
Exact Mass355.02
IUPAC Name5-[[2-(3-bromo-5-fluorophenyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine
SMILESNc1ncc(CN2CCCC2c2cc(F)cc(Br)c2)s1
InChIInChI=1S/C14H15BrFN3S/c15-10-4-9(5-11(16)6-10)13-2-1-3-19(13)8-12-7-18-14(17)20-12/h4-7,13H,1-3,8H2,(H2,17,18)
InChIKeyLYUQCDZYMFUQOD-UHFFFAOYSA-N
XLogP3.96
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.26
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[[2-(3-bromo-5-fluorophenyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine 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 5-[[2-(3-bromo-5-fluorophenyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[[2-(3-bromo-5-fluorophenyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine (CID 120904624) is 5-[[2-(3-bromo-5-fluorophenyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[[2-(3-bromo-5-fluorophenyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[[2-(3-bromo-5-fluorophenyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine is Nc1ncc(CN2CCCC2c2cc(F)cc(Br)c2)s1.
What is the InChIKey of 5-[[2-(3-bromo-5-fluorophenyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine?
The InChIKey is LYUQCDZYMFUQOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrFN3S/c15-10-4-9(5-11(16)6-10)13-2-1-3-19(13)8-12-7-18-14(17)20-12/h4-7,13H,1-3,8H2,(H2,17,18).
What are the key properties of 5-[[2-(3-bromo-5-fluorophenyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine?
5-[[2-(3-bromo-5-fluorophenyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine has a molecular weight of 356.26 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(3-bromo-5-fluorophenyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 120904624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).