N-[[2-(2-bromophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine

C13H15BrN2S — CID 62403555

IUPACN-[[2-(2-bromophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1sc(-c2ccccc2Br)nc1C
InChIInChI=1S/C13H15BrN2S/c1-3-15-8-12-9(2)16-13(17-12)10-6-4-5-7-11(10)14/h4-7,15H,3,8H2,1-2H3
InChIKeyJGIBAUZFBZSSMG-UHFFFAOYSA-N
MW311.25 g/mol
LogP3.99
Rot. Bonds4

About N-[[2-(2-bromophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine

N-[[2-(2-bromophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine (PubChem CID 62403555) has the molecular formula C13H15BrN2S and a molecular weight of 311.25 g/mol. Its IUPAC name is N-[[2-(2-bromophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(2-bromophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine
PubChem CID62403555
Molecular FormulaC13H15BrN2S
Molecular Weight311.25 g/mol
Exact Mass310.01
IUPAC NameN-[[2-(2-bromophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1sc(-c2ccccc2Br)nc1C
InChIInChI=1S/C13H15BrN2S/c1-3-15-8-12-9(2)16-13(17-12)10-6-4-5-7-11(10)14/h4-7,15H,3,8H2,1-2H3
InChIKeyJGIBAUZFBZSSMG-UHFFFAOYSA-N
XLogP3.99
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.25
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-bromophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine?
The IUPAC name of N-[[2-(2-bromophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine (CID 62403555) is N-[[2-(2-bromophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(2-bromophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-(2-bromophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine is CCNCc1sc(-c2ccccc2Br)nc1C.
What is the InChIKey of N-[[2-(2-bromophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine?
The InChIKey is JGIBAUZFBZSSMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2S/c1-3-15-8-12-9(2)16-13(17-12)10-6-4-5-7-11(10)14/h4-7,15H,3,8H2,1-2H3.
What are the key properties of N-[[2-(2-bromophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine?
N-[[2-(2-bromophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine has a molecular weight of 311.25 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-bromophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 62403555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).