5-[(2,4-dibromo-5-methoxyphenyl)methyl]-1,3-thiazol-2-amine

C11H10Br2N2OS — CID 103416449

IUPAC5-[(2,4-dibromo-5-methoxyphenyl)methyl]-1,3-thiazol-2-amine
SMILESCOc1cc(Cc2cnc(N)s2)c(Br)cc1Br
InChIInChI=1S/C11H10Br2N2OS/c1-16-10-3-6(8(12)4-9(10)13)2-7-5-15-11(14)17-7/h3-5H,2H2,1H3,(H2,14,15)
InChIKeyZSGGAIAWYTWUCJ-UHFFFAOYSA-N
MW378.09 g/mol
LogP3.85
Rot. Bonds3

About 5-[(2,4-dibromo-5-methoxyphenyl)methyl]-1,3-thiazol-2-amine

5-[(2,4-dibromo-5-methoxyphenyl)methyl]-1,3-thiazol-2-amine (PubChem CID 103416449) has the molecular formula C11H10Br2N2OS and a molecular weight of 378.09 g/mol. Its IUPAC name is 5-[(2,4-dibromo-5-methoxyphenyl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(2,4-dibromo-5-methoxyphenyl)methyl]-1,3-thiazol-2-amine
PubChem CID103416449
Molecular FormulaC11H10Br2N2OS
Molecular Weight378.09 g/mol
Exact Mass375.89
IUPAC Name5-[(2,4-dibromo-5-methoxyphenyl)methyl]-1,3-thiazol-2-amine
SMILESCOc1cc(Cc2cnc(N)s2)c(Br)cc1Br
InChIInChI=1S/C11H10Br2N2OS/c1-16-10-3-6(8(12)4-9(10)13)2-7-5-15-11(14)17-7/h3-5H,2H2,1H3,(H2,14,15)
InChIKeyZSGGAIAWYTWUCJ-UHFFFAOYSA-N
XLogP3.85
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.09
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[(2,4-dibromo-5-methoxyphenyl)methyl]-1,3-thiazol-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

Frequently Asked Questions

What is the IUPAC name of 5-[(2,4-dibromo-5-methoxyphenyl)methyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[(2,4-dibromo-5-methoxyphenyl)methyl]-1,3-thiazol-2-amine (CID 103416449) is 5-[(2,4-dibromo-5-methoxyphenyl)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(2,4-dibromo-5-methoxyphenyl)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(2,4-dibromo-5-methoxyphenyl)methyl]-1,3-thiazol-2-amine is COc1cc(Cc2cnc(N)s2)c(Br)cc1Br.
What is the InChIKey of 5-[(2,4-dibromo-5-methoxyphenyl)methyl]-1,3-thiazol-2-amine?
The InChIKey is ZSGGAIAWYTWUCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Br2N2OS/c1-16-10-3-6(8(12)4-9(10)13)2-7-5-15-11(14)17-7/h3-5H,2H2,1H3,(H2,14,15).
What are the key properties of 5-[(2,4-dibromo-5-methoxyphenyl)methyl]-1,3-thiazol-2-amine?
5-[(2,4-dibromo-5-methoxyphenyl)methyl]-1,3-thiazol-2-amine has a molecular weight of 378.09 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,4-dibromo-5-methoxyphenyl)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 103416449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).