5-bromo-2-methoxy-N-(1,3-thiazol-4-ylmethyl)aniline

C11H11BrN2OS — CID 61223553

IUPAC5-bromo-2-methoxy-N-(1,3-thiazol-4-ylmethyl)aniline
SMILESCOc1ccc(Br)cc1NCc1cscn1
InChIInChI=1S/C11H11BrN2OS/c1-15-11-3-2-8(12)4-10(11)13-5-9-6-16-7-14-9/h2-4,6-7,13H,5H2,1H3
InChIKeyPROHVKJMGJQAMS-UHFFFAOYSA-N
MW299.19 g/mol
LogP3.53
Rot. Bonds4

About 5-bromo-2-methoxy-N-(1,3-thiazol-4-ylmethyl)aniline

5-bromo-2-methoxy-N-(1,3-thiazol-4-ylmethyl)aniline (PubChem CID 61223553) has the molecular formula C11H11BrN2OS and a molecular weight of 299.19 g/mol. Its IUPAC name is 5-bromo-2-methoxy-N-(1,3-thiazol-4-ylmethyl)aniline.

Molecular Properties

Compound Name5-bromo-2-methoxy-N-(1,3-thiazol-4-ylmethyl)aniline
PubChem CID61223553
Molecular FormulaC11H11BrN2OS
Molecular Weight299.19 g/mol
Exact Mass297.98
IUPAC Name5-bromo-2-methoxy-N-(1,3-thiazol-4-ylmethyl)aniline
SMILESCOc1ccc(Br)cc1NCc1cscn1
InChIInChI=1S/C11H11BrN2OS/c1-15-11-3-2-8(12)4-10(11)13-5-9-6-16-7-14-9/h2-4,6-7,13H,5H2,1H3
InChIKeyPROHVKJMGJQAMS-UHFFFAOYSA-N
XLogP3.53
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.19
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-bromo-2-methoxy-N-(1,3-thiazol-4-ylmethyl)aniline 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

5-tert-butyl-2-methoxy-N-(1,3-thiazol-4-ylmethyl)aniline
CID 60687872
6-[(5-bromo-2-methoxyanilino)methyl]pyridin-3-ol
CID 79783055
2,4-dibromo-5-methoxy-N-(1,3-thiazol-4-ylmethyl)aniline
CID 103412233
2-bromo-4-methoxy-N-(1,3-thiazol-4-ylmethyl)aniline
CID 115877205
2-fluoro-4,5-dimethoxy-N-(1,3-thiazol-4-ylmethyl)aniline
CID 84595025
5-bromo-2-(1,3-thiazol-4-ylmethylamino)benzoic acid
CID 114895801
2,5-diethoxy-N-(1,3-thiazol-4-ylmethyl)aniline
CID 60696576
5-bromo-N-[(5-bromothiophen-3-yl)methyl]-2-methoxyaniline
CID 61059947
5-bromo-2-methoxy-N-[(2,4,6-trimethylphenyl)methyl]aniline
CID 63456234
5-bromo-N-[(5-bromothiophen-2-yl)methyl]-2-methoxyaniline
CID 61060847
N'-(5-bromo-2-methoxyphenyl)-N-methylmethanediamine
CID 115226503
5-bromo-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methoxyaniline
CID 54968321

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methoxy-N-(1,3-thiazol-4-ylmethyl)aniline?
The IUPAC name of 5-bromo-2-methoxy-N-(1,3-thiazol-4-ylmethyl)aniline (CID 61223553) is 5-bromo-2-methoxy-N-(1,3-thiazol-4-ylmethyl)aniline.
What is the SMILES notation for 5-bromo-2-methoxy-N-(1,3-thiazol-4-ylmethyl)aniline?
The canonical SMILES for 5-bromo-2-methoxy-N-(1,3-thiazol-4-ylmethyl)aniline is COc1ccc(Br)cc1NCc1cscn1.
What is the InChIKey of 5-bromo-2-methoxy-N-(1,3-thiazol-4-ylmethyl)aniline?
The InChIKey is PROHVKJMGJQAMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2OS/c1-15-11-3-2-8(12)4-10(11)13-5-9-6-16-7-14-9/h2-4,6-7,13H,5H2,1H3.
What are the key properties of 5-bromo-2-methoxy-N-(1,3-thiazol-4-ylmethyl)aniline?
5-bromo-2-methoxy-N-(1,3-thiazol-4-ylmethyl)aniline has a molecular weight of 299.19 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methoxy-N-(1,3-thiazol-4-ylmethyl)aniline is sourced from PubChem (CID 61223553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).