1-(5-bromo-2-fluorophenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine

C11H10BrFN2S — CID 60960734

IUPAC1-(5-bromo-2-fluorophenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine
SMILESFc1ccc(Br)cc1CNCc1nccs1
InChIInChI=1S/C11H10BrFN2S/c12-9-1-2-10(13)8(5-9)6-14-7-11-15-3-4-16-11/h1-5,14H,6-7H2
InChIKeyUBWBBDVCJZCHOE-UHFFFAOYSA-N
MW301.18 g/mol
LogP3.33
Rot. Bonds4

About 1-(5-bromo-2-fluorophenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine

1-(5-bromo-2-fluorophenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine (PubChem CID 60960734) has the molecular formula C11H10BrFN2S and a molecular weight of 301.18 g/mol. Its IUPAC name is 1-(5-bromo-2-fluorophenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(5-bromo-2-fluorophenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine
PubChem CID60960734
Molecular FormulaC11H10BrFN2S
Molecular Weight301.18 g/mol
Exact Mass299.97
IUPAC Name1-(5-bromo-2-fluorophenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine
SMILESFc1ccc(Br)cc1CNCc1nccs1
InChIInChI=1S/C11H10BrFN2S/c12-9-1-2-10(13)8(5-9)6-14-7-11-15-3-4-16-11/h1-5,14H,6-7H2
InChIKeyUBWBBDVCJZCHOE-UHFFFAOYSA-N
XLogP3.33
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.18
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(5-bromo-2-fluorophenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine 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 1-(5-bromo-2-fluorophenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine?
The IUPAC name of 1-(5-bromo-2-fluorophenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine (CID 60960734) is 1-(5-bromo-2-fluorophenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine.
What is the SMILES notation for 1-(5-bromo-2-fluorophenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine?
The canonical SMILES for 1-(5-bromo-2-fluorophenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine is Fc1ccc(Br)cc1CNCc1nccs1.
What is the InChIKey of 1-(5-bromo-2-fluorophenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine?
The InChIKey is UBWBBDVCJZCHOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrFN2S/c12-9-1-2-10(13)8(5-9)6-14-7-11-15-3-4-16-11/h1-5,14H,6-7H2.
What are the key properties of 1-(5-bromo-2-fluorophenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine?
1-(5-bromo-2-fluorophenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine has a molecular weight of 301.18 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-fluorophenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine is sourced from PubChem (CID 60960734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).