5-bromo-2-(4-methoxy-2,5-dimethylphenyl)-1,3-thiazol-4-amine

C12H13BrN2OS — CID 116864302

IUPAC5-bromo-2-(4-methoxy-2,5-dimethylphenyl)-1,3-thiazol-4-amine
SMILESCOc1cc(C)c(-c2nc(N)c(Br)s2)cc1C
InChIInChI=1S/C12H13BrN2OS/c1-6-5-9(16-3)7(2)4-8(6)12-15-11(14)10(13)17-12/h4-5H,14H2,1-3H3
InChIKeyGYEJFKHZAHXJCA-UHFFFAOYSA-N
MW313.22 g/mol
LogP3.78
Rot. Bonds2

About 5-bromo-2-(4-methoxy-2,5-dimethylphenyl)-1,3-thiazol-4-amine

5-bromo-2-(4-methoxy-2,5-dimethylphenyl)-1,3-thiazol-4-amine (PubChem CID 116864302) has the molecular formula C12H13BrN2OS and a molecular weight of 313.22 g/mol. Its IUPAC name is 5-bromo-2-(4-methoxy-2,5-dimethylphenyl)-1,3-thiazol-4-amine.

Molecular Properties

Compound Name5-bromo-2-(4-methoxy-2,5-dimethylphenyl)-1,3-thiazol-4-amine
PubChem CID116864302
Molecular FormulaC12H13BrN2OS
Molecular Weight313.22 g/mol
Exact Mass311.99
IUPAC Name5-bromo-2-(4-methoxy-2,5-dimethylphenyl)-1,3-thiazol-4-amine
SMILESCOc1cc(C)c(-c2nc(N)c(Br)s2)cc1C
InChIInChI=1S/C12H13BrN2OS/c1-6-5-9(16-3)7(2)4-8(6)12-15-11(14)10(13)17-12/h4-5H,14H2,1-3H3
InChIKeyGYEJFKHZAHXJCA-UHFFFAOYSA-N
XLogP3.78
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.22
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-bromo-2-(4-methoxy-2,5-dimethylphenyl)-1,3-thiazol-4-amine 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-bromo-2-(2,5-dimethoxy-4-methylphenyl)-4-methyl-1,3-thiazole
CID 116887902
5-bromo-2-(5-chloro-2-methoxyphenyl)-1,3-thiazol-4-amine
CID 116864286
5-bromo-2-(2,4-dimethylphenyl)-1,3-thiazol-4-amine
CID 116864287
4-(4-methoxy-2,5-dimethylphenyl)-2-methyl-1,3-thiazol-5-amine
CID 82480345
5-bromo-2-(2,3,4-trimethylphenyl)-1,3-thiazol-4-amine
CID 116864382
4-methoxy-2-(4-methoxy-2,5-dimethylphenyl)-1,3-thiazole
CID 116891772
[5-bromo-2-(2,4,5-trimethylphenyl)-1,3-thiazol-4-yl]methanamine
CID 116868274
5-bromo-2-(4-methoxyphenyl)-1,3-thiazol-4-amine
CID 116864276
2-(4-methoxy-2,5-dimethylphenyl)-N-methyl-1,3-thiazol-4-amine
CID 116864413
2-bromo-4-(2-methoxy-4,5-dimethylphenyl)-5-methyl-1,3-thiazole
CID 82135463
2-(4-methoxy-2,5-dimethylphenyl)-6-methylpyrimidin-4-amine
CID 82293776
4-(4-methoxy-2,5-dimethylphenyl)-2-methyl-1,3-thiazole
CID 82129098

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(4-methoxy-2,5-dimethylphenyl)-1,3-thiazol-4-amine?
The IUPAC name of 5-bromo-2-(4-methoxy-2,5-dimethylphenyl)-1,3-thiazol-4-amine (CID 116864302) is 5-bromo-2-(4-methoxy-2,5-dimethylphenyl)-1,3-thiazol-4-amine.
What is the SMILES notation for 5-bromo-2-(4-methoxy-2,5-dimethylphenyl)-1,3-thiazol-4-amine?
The canonical SMILES for 5-bromo-2-(4-methoxy-2,5-dimethylphenyl)-1,3-thiazol-4-amine is COc1cc(C)c(-c2nc(N)c(Br)s2)cc1C.
What is the InChIKey of 5-bromo-2-(4-methoxy-2,5-dimethylphenyl)-1,3-thiazol-4-amine?
The InChIKey is GYEJFKHZAHXJCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2OS/c1-6-5-9(16-3)7(2)4-8(6)12-15-11(14)10(13)17-12/h4-5H,14H2,1-3H3.
What are the key properties of 5-bromo-2-(4-methoxy-2,5-dimethylphenyl)-1,3-thiazol-4-amine?
5-bromo-2-(4-methoxy-2,5-dimethylphenyl)-1,3-thiazol-4-amine has a molecular weight of 313.22 g/mol, XLogP of 3.78, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(4-methoxy-2,5-dimethylphenyl)-1,3-thiazol-4-amine is sourced from PubChem (CID 116864302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).