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

C13H14Br2N2S — CID 114077447

IUPACN-[(3,4-dibromophenyl)-(1,3-thiazol-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(Br)c(Br)c1)c1nccs1
InChIInChI=1S/C13H14Br2N2S/c1-2-5-16-12(13-17-6-7-18-13)9-3-4-10(14)11(15)8-9/h3-4,6-8,12,16H,2,5H2,1H3
InChIKeyPPNLBFJPKDVPRJ-UHFFFAOYSA-N
MW390.14 g/mol
LogP4.76
Rot. Bonds5

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

N-[(3,4-dibromophenyl)-(1,3-thiazol-2-yl)methyl]propan-1-amine (PubChem CID 114077447) has the molecular formula C13H14Br2N2S and a molecular weight of 390.14 g/mol. Its IUPAC name is N-[(3,4-dibromophenyl)-(1,3-thiazol-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3,4-dibromophenyl)-(1,3-thiazol-2-yl)methyl]propan-1-amine
PubChem CID114077447
Molecular FormulaC13H14Br2N2S
Molecular Weight390.14 g/mol
Exact Mass387.92
IUPAC NameN-[(3,4-dibromophenyl)-(1,3-thiazol-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(Br)c(Br)c1)c1nccs1
InChIInChI=1S/C13H14Br2N2S/c1-2-5-16-12(13-17-6-7-18-13)9-3-4-10(14)11(15)8-9/h3-4,6-8,12,16H,2,5H2,1H3
InChIKeyPPNLBFJPKDVPRJ-UHFFFAOYSA-N
XLogP4.76
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.14
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(3,4-dibromophenyl)-(1,3-thiazol-2-yl)methyl]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

N-[(3,4-dichlorophenyl)-(1,3-thiazol-2-yl)methyl]propan-1-amine
CID 61332600
N-[(3-fluorophenyl)-(1,3-thiazol-2-yl)methyl]propan-1-amine
CID 61332798
N-[(3-bromo-4-chlorophenyl)-(1,3-thiazol-2-yl)methyl]ethanamine
CID 83230059
N-[(2-methylquinolin-6-yl)-(1,3-thiazol-2-yl)methyl]propan-1-amine
CID 105379123
N-[(3,5-dichlorophenyl)-(1,3-thiazol-2-yl)methyl]propan-1-amine
CID 61332586
N-[(3-methoxyphenyl)-(1,3-thiazol-2-yl)methyl]propan-1-amine
CID 61332776
N-[(5-bromo-2-pyridinyl)-(1,3-thiazol-2-yl)methyl]propan-1-amine
CID 113393885
N-[1,3-thiazol-2-yl(thiophen-2-yl)methyl]propan-1-amine
CID 61347143
N-[(2,6-difluorophenyl)-(1,3-thiazol-2-yl)methyl]propan-1-amine
CID 61332803
N-[(5-chloro-2-fluorophenyl)-(1,3-thiazol-2-yl)methyl]propan-1-amine
CID 114859186
N-[1-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 46785149
N-[(2-methoxyphenyl)-(1,3-thiazol-2-yl)methyl]propan-1-amine
CID 61330443

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dibromophenyl)-(1,3-thiazol-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[(3,4-dibromophenyl)-(1,3-thiazol-2-yl)methyl]propan-1-amine (CID 114077447) is N-[(3,4-dibromophenyl)-(1,3-thiazol-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3,4-dibromophenyl)-(1,3-thiazol-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(3,4-dibromophenyl)-(1,3-thiazol-2-yl)methyl]propan-1-amine is CCCNC(c1ccc(Br)c(Br)c1)c1nccs1.
What is the InChIKey of N-[(3,4-dibromophenyl)-(1,3-thiazol-2-yl)methyl]propan-1-amine?
The InChIKey is PPNLBFJPKDVPRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Br2N2S/c1-2-5-16-12(13-17-6-7-18-13)9-3-4-10(14)11(15)8-9/h3-4,6-8,12,16H,2,5H2,1H3.
What are the key properties of N-[(3,4-dibromophenyl)-(1,3-thiazol-2-yl)methyl]propan-1-amine?
N-[(3,4-dibromophenyl)-(1,3-thiazol-2-yl)methyl]propan-1-amine has a molecular weight of 390.14 g/mol, XLogP of 4.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dibromophenyl)-(1,3-thiazol-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 114077447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).