N-[(5-bromothiophen-3-yl)methyl]-2-(1,3-thiazol-2-yl)ethanamine

C10H11BrN2S2 — CID 62198261

IUPACN-[(5-bromothiophen-3-yl)methyl]-2-(1,3-thiazol-2-yl)ethanamine
SMILESBrc1cc(CNCCc2nccs2)cs1
InChIInChI=1S/C10H11BrN2S2/c11-9-5-8(7-15-9)6-12-2-1-10-13-3-4-14-10/h3-5,7,12H,1-2,6H2
InChIKeyDJSSARBTYKGHKR-UHFFFAOYSA-N
MW303.25 g/mol
LogP3.30
Rot. Bonds5

About N-[(5-bromothiophen-3-yl)methyl]-2-(1,3-thiazol-2-yl)ethanamine

N-[(5-bromothiophen-3-yl)methyl]-2-(1,3-thiazol-2-yl)ethanamine (PubChem CID 62198261) has the molecular formula C10H11BrN2S2 and a molecular weight of 303.25 g/mol. Its IUPAC name is N-[(5-bromothiophen-3-yl)methyl]-2-(1,3-thiazol-2-yl)ethanamine.

Molecular Properties

Compound NameN-[(5-bromothiophen-3-yl)methyl]-2-(1,3-thiazol-2-yl)ethanamine
PubChem CID62198261
Molecular FormulaC10H11BrN2S2
Molecular Weight303.25 g/mol
Exact Mass301.95
IUPAC NameN-[(5-bromothiophen-3-yl)methyl]-2-(1,3-thiazol-2-yl)ethanamine
SMILESBrc1cc(CNCCc2nccs2)cs1
InChIInChI=1S/C10H11BrN2S2/c11-9-5-8(7-15-9)6-12-2-1-10-13-3-4-14-10/h3-5,7,12H,1-2,6H2
InChIKeyDJSSARBTYKGHKR-UHFFFAOYSA-N
XLogP3.30
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.25
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[(5-bromothiophen-3-yl)methyl]-2-(1,3-thiazol-2-yl)ethanamine 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-[(4-fluorophenyl)methyl]-2-(1,3-thiazol-2-yl)ethanamine
CID 62196333
2,6-dimethyl-4-[[2-(1,3-thiazol-2-yl)ethylamino]methyl]phenol
CID 55175219
N-[(5-bromothiophen-3-yl)methyl]-2-(4-fluorophenyl)ethanamine
CID 43431893
4-[2-[(5-bromothiophen-3-yl)methylamino]ethyl]phenol
CID 61238208
4-bromo-3-[[2-(1,3-thiazol-2-yl)ethylamino]methyl]aniline
CID 115297731
N-[(5-bromothiophen-3-yl)methyl]-3-methylsulfonylpropan-1-amine
CID 61020534
N-(1,3-benzodioxol-5-ylmethyl)-2-(1,3-thiazol-2-yl)ethanamine
CID 63242514
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-(1,3-thiazol-2-yl)ethanamine
CID 62196657
N-ethyl-N'-[2-(1,3-thiazol-2-yl)ethyl]ethane-1,2-diamine
CID 63240886
4-[(5-bromothiophen-3-yl)methylamino]butanoic acid
CID 43473757
1-[(5-bromothiophen-3-yl)methyl]-3-(1,3-thiazole-2-carbonylamino)urea
CID 167941357
N-[(5-bromothiophen-3-yl)methyl]-1-(2-chloro-3-pyridinyl)methanamine
CID 115614240

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-3-yl)methyl]-2-(1,3-thiazol-2-yl)ethanamine?
The IUPAC name of N-[(5-bromothiophen-3-yl)methyl]-2-(1,3-thiazol-2-yl)ethanamine (CID 62198261) is N-[(5-bromothiophen-3-yl)methyl]-2-(1,3-thiazol-2-yl)ethanamine.
What is the SMILES notation for N-[(5-bromothiophen-3-yl)methyl]-2-(1,3-thiazol-2-yl)ethanamine?
The canonical SMILES for N-[(5-bromothiophen-3-yl)methyl]-2-(1,3-thiazol-2-yl)ethanamine is Brc1cc(CNCCc2nccs2)cs1.
What is the InChIKey of N-[(5-bromothiophen-3-yl)methyl]-2-(1,3-thiazol-2-yl)ethanamine?
The InChIKey is DJSSARBTYKGHKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2S2/c11-9-5-8(7-15-9)6-12-2-1-10-13-3-4-14-10/h3-5,7,12H,1-2,6H2.
What are the key properties of N-[(5-bromothiophen-3-yl)methyl]-2-(1,3-thiazol-2-yl)ethanamine?
N-[(5-bromothiophen-3-yl)methyl]-2-(1,3-thiazol-2-yl)ethanamine has a molecular weight of 303.25 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-3-yl)methyl]-2-(1,3-thiazol-2-yl)ethanamine is sourced from PubChem (CID 62198261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).