3-[2-[(3-bromophenyl)methyl]-1,3-thiazol-4-yl]propan-1-amine

C13H15BrN2S — CID 115089233

IUPAC3-[2-[(3-bromophenyl)methyl]-1,3-thiazol-4-yl]propan-1-amine
SMILESNCCCc1csc(Cc2cccc(Br)c2)n1
InChIInChI=1S/C13H15BrN2S/c14-11-4-1-3-10(7-11)8-13-16-12(9-17-13)5-2-6-15/h1,3-4,7,9H,2,5-6,8,15H2
InChIKeyHPXDSBUSIBIPNZ-UHFFFAOYSA-N
MW311.25 g/mol
LogP3.39
Rot. Bonds5

About 3-[2-[(3-bromophenyl)methyl]-1,3-thiazol-4-yl]propan-1-amine

3-[2-[(3-bromophenyl)methyl]-1,3-thiazol-4-yl]propan-1-amine (PubChem CID 115089233) has the molecular formula C13H15BrN2S and a molecular weight of 311.25 g/mol. Its IUPAC name is 3-[2-[(3-bromophenyl)methyl]-1,3-thiazol-4-yl]propan-1-amine.

Molecular Properties

Compound Name3-[2-[(3-bromophenyl)methyl]-1,3-thiazol-4-yl]propan-1-amine
PubChem CID115089233
Molecular FormulaC13H15BrN2S
Molecular Weight311.25 g/mol
Exact Mass310.01
IUPAC Name3-[2-[(3-bromophenyl)methyl]-1,3-thiazol-4-yl]propan-1-amine
SMILESNCCCc1csc(Cc2cccc(Br)c2)n1
InChIInChI=1S/C13H15BrN2S/c14-11-4-1-3-10(7-11)8-13-16-12(9-17-13)5-2-6-15/h1,3-4,7,9H,2,5-6,8,15H2
InChIKeyHPXDSBUSIBIPNZ-UHFFFAOYSA-N
XLogP3.39
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.25
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[2-[(3-bromophenyl)methyl]-1,3-thiazol-4-yl]propan-1-amine 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

3-[2-[(3-methylphenyl)methyl]-1,3-thiazol-4-yl]propan-1-amine
CID 115089230
2-[2-[(4-bromophenyl)methyl]-1,3-thiazol-4-yl]ethanamine
CID 62928440
[4-[(3-bromophenyl)methoxymethyl]-1,3-thiazol-2-yl]methanamine
CID 82831486
2-[(3-bromophenyl)methyl]-4-tert-butyl-1,3-thiazole
CID 113415601
2-[2-[(3-bromophenyl)sulfanylmethyl]-1,3-thiazol-4-yl]ethanamine
CID 66159845
1-[2-[(3-bromophenyl)methyl]-1,3-thiazol-4-yl]ethanol
CID 64543314
2-[2-(pyridin-3-ylmethyl)-1,3-thiazol-4-yl]ethanamine
CID 62929665
2-[4-[(3-bromophenyl)methoxy]butyl]-4-(chloromethyl)-1,3-thiazole
CID 82823971
2-[2-(2,3-dihydro-1H-inden-5-ylmethyl)-1,3-thiazol-4-yl]ethanamine
CID 83969649
4-(3-chloropropyl)-2-[(3,4-dichlorophenyl)methyl]-1,3-thiazole
CID 113369403
4-(chloromethyl)-2-[(3-fluorophenyl)methyl]-1,3-thiazole
CID 61221053
1-(3-bromophenyl)-N-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-N-methylmethanamine
CID 61416017

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(3-bromophenyl)methyl]-1,3-thiazol-4-yl]propan-1-amine?
The IUPAC name of 3-[2-[(3-bromophenyl)methyl]-1,3-thiazol-4-yl]propan-1-amine (CID 115089233) is 3-[2-[(3-bromophenyl)methyl]-1,3-thiazol-4-yl]propan-1-amine.
What is the SMILES notation for 3-[2-[(3-bromophenyl)methyl]-1,3-thiazol-4-yl]propan-1-amine?
The canonical SMILES for 3-[2-[(3-bromophenyl)methyl]-1,3-thiazol-4-yl]propan-1-amine is NCCCc1csc(Cc2cccc(Br)c2)n1.
What is the InChIKey of 3-[2-[(3-bromophenyl)methyl]-1,3-thiazol-4-yl]propan-1-amine?
The InChIKey is HPXDSBUSIBIPNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2S/c14-11-4-1-3-10(7-11)8-13-16-12(9-17-13)5-2-6-15/h1,3-4,7,9H,2,5-6,8,15H2.
What are the key properties of 3-[2-[(3-bromophenyl)methyl]-1,3-thiazol-4-yl]propan-1-amine?
3-[2-[(3-bromophenyl)methyl]-1,3-thiazol-4-yl]propan-1-amine has a molecular weight of 311.25 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(3-bromophenyl)methyl]-1,3-thiazol-4-yl]propan-1-amine is sourced from PubChem (CID 115089233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).