2-[4-(2-bromo-4,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-methylethanamine

C14H17BrN2O2S — CID 5165128

IUPAC2-[4-(2-bromo-4,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-methylethanamine
SMILESCNCCc1nc(-c2cc(OC)c(OC)cc2Br)cs1
InChIInChI=1S/C14H17BrN2O2S/c1-16-5-4-14-17-11(8-20-14)9-6-12(18-2)13(19-3)7-10(9)15/h6-8,16H,4-5H2,1-3H3
InChIKeySFUGCKNCGCHLAY-UHFFFAOYSA-N
MW357.27 g/mol
LogP3.35
Rot. Bonds6

About 2-[4-(2-bromo-4,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-methylethanamine

2-[4-(2-bromo-4,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-methylethanamine (PubChem CID 5165128) has the molecular formula C14H17BrN2O2S and a molecular weight of 357.27 g/mol. Its IUPAC name is 2-[4-(2-bromo-4,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-methylethanamine.

Molecular Properties

Compound Name2-[4-(2-bromo-4,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-methylethanamine
PubChem CID5165128
Molecular FormulaC14H17BrN2O2S
Molecular Weight357.27 g/mol
Exact Mass356.02
IUPAC Name2-[4-(2-bromo-4,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-methylethanamine
SMILESCNCCc1nc(-c2cc(OC)c(OC)cc2Br)cs1
InChIInChI=1S/C14H17BrN2O2S/c1-16-5-4-14-17-11(8-20-14)9-6-12(18-2)13(19-3)7-10(9)15/h6-8,16H,4-5H2,1-3H3
InChIKeySFUGCKNCGCHLAY-UHFFFAOYSA-N
XLogP3.35
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.27
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-(2-bromo-4,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-methylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-bromo-4,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-methylethanamine?
The IUPAC name of 2-[4-(2-bromo-4,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-methylethanamine (CID 5165128) is 2-[4-(2-bromo-4,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-methylethanamine.
What is the SMILES notation for 2-[4-(2-bromo-4,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-methylethanamine?
The canonical SMILES for 2-[4-(2-bromo-4,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-methylethanamine is CNCCc1nc(-c2cc(OC)c(OC)cc2Br)cs1.
What is the InChIKey of 2-[4-(2-bromo-4,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-methylethanamine?
The InChIKey is SFUGCKNCGCHLAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O2S/c1-16-5-4-14-17-11(8-20-14)9-6-12(18-2)13(19-3)7-10(9)15/h6-8,16H,4-5H2,1-3H3.
What are the key properties of 2-[4-(2-bromo-4,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-methylethanamine?
2-[4-(2-bromo-4,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-methylethanamine has a molecular weight of 357.27 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-bromo-4,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-methylethanamine is sourced from PubChem (CID 5165128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).