1-(2-bromophenyl)-N-ethyl-3-(1,3-thiazol-5-yl)propan-2-amine

C14H17BrN2S — CID 112642980

IUPAC1-(2-bromophenyl)-N-ethyl-3-(1,3-thiazol-5-yl)propan-2-amine
SMILESCCNC(Cc1cncs1)Cc1ccccc1Br
InChIInChI=1S/C14H17BrN2S/c1-2-17-12(8-13-9-16-10-18-13)7-11-5-3-4-6-14(11)15/h3-6,9-10,12,17H,2,7-8H2,1H3
InChIKeyBTPLBQCHMCGPLW-UHFFFAOYSA-N
MW325.27 g/mol
LogP3.67
Rot. Bonds6

About 1-(2-bromophenyl)-N-ethyl-3-(1,3-thiazol-5-yl)propan-2-amine

1-(2-bromophenyl)-N-ethyl-3-(1,3-thiazol-5-yl)propan-2-amine (PubChem CID 112642980) has the molecular formula C14H17BrN2S and a molecular weight of 325.27 g/mol. Its IUPAC name is 1-(2-bromophenyl)-N-ethyl-3-(1,3-thiazol-5-yl)propan-2-amine.

Molecular Properties

Compound Name1-(2-bromophenyl)-N-ethyl-3-(1,3-thiazol-5-yl)propan-2-amine
PubChem CID112642980
Molecular FormulaC14H17BrN2S
Molecular Weight325.27 g/mol
Exact Mass324.03
IUPAC Name1-(2-bromophenyl)-N-ethyl-3-(1,3-thiazol-5-yl)propan-2-amine
SMILESCCNC(Cc1cncs1)Cc1ccccc1Br
InChIInChI=1S/C14H17BrN2S/c1-2-17-12(8-13-9-16-10-18-13)7-11-5-3-4-6-14(11)15/h3-6,9-10,12,17H,2,7-8H2,1H3
InChIKeyBTPLBQCHMCGPLW-UHFFFAOYSA-N
XLogP3.67
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.27
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2-bromophenyl)-N-ethyl-3-(1,3-thiazol-5-yl)propan-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

Related Compounds

1-(2-bromophenyl)-3-(5-chlorothiophen-2-yl)-N-ethylpropan-2-amine
CID 55187580
1-(2,4-dichlorophenyl)-N-ethyl-3-(1,3-thiazol-5-yl)propan-2-amine
CID 112642799
1-(2-bromophenyl)-N-(1,3-thiazol-5-ylmethyl)methanamine
CID 62758358
1-(2-bromo-6-fluorophenyl)-N-ethyl-2-(1,3-thiazol-5-yl)ethanamine
CID 114887192
N-ethyl-4-methyl-1-(1,3-thiazol-5-yl)hexan-2-amine
CID 105030464
1-(2-chlorophenyl)-N-methyl-3-(1,3-thiazol-5-yl)propan-2-amine
CID 112642906
N-[1-(2-bromophenyl)-2-(1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 112642896
3-(2-bromophenyl)-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 79093309
1-(2-bromophenyl)-3-(2,6-dichlorophenyl)-N-ethylpropan-2-amine
CID 63415285
1-(2-bromophenyl)-3-(3,5-dimethylphenyl)-N-ethylpropan-2-amine
CID 63416386
1-(2-bromophenyl)-N-ethyl-4-methylhexan-2-amine
CID 63419614
1-(2-bromophenyl)-3-(1,3-dioxolan-2-yl)-N-ethylpropan-2-amine
CID 103546390

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-N-ethyl-3-(1,3-thiazol-5-yl)propan-2-amine?
The IUPAC name of 1-(2-bromophenyl)-N-ethyl-3-(1,3-thiazol-5-yl)propan-2-amine (CID 112642980) is 1-(2-bromophenyl)-N-ethyl-3-(1,3-thiazol-5-yl)propan-2-amine.
What is the SMILES notation for 1-(2-bromophenyl)-N-ethyl-3-(1,3-thiazol-5-yl)propan-2-amine?
The canonical SMILES for 1-(2-bromophenyl)-N-ethyl-3-(1,3-thiazol-5-yl)propan-2-amine is CCNC(Cc1cncs1)Cc1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)-N-ethyl-3-(1,3-thiazol-5-yl)propan-2-amine?
The InChIKey is BTPLBQCHMCGPLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2S/c1-2-17-12(8-13-9-16-10-18-13)7-11-5-3-4-6-14(11)15/h3-6,9-10,12,17H,2,7-8H2,1H3.
What are the key properties of 1-(2-bromophenyl)-N-ethyl-3-(1,3-thiazol-5-yl)propan-2-amine?
1-(2-bromophenyl)-N-ethyl-3-(1,3-thiazol-5-yl)propan-2-amine has a molecular weight of 325.27 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-N-ethyl-3-(1,3-thiazol-5-yl)propan-2-amine is sourced from PubChem (CID 112642980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).