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

C11H11BrN2S — CID 116864287

IUPAC5-bromo-2-(2,4-dimethylphenyl)-1,3-thiazol-4-amine
SMILESCc1ccc(-c2nc(N)c(Br)s2)c(C)c1
InChIInChI=1S/C11H11BrN2S/c1-6-3-4-8(7(2)5-6)11-14-10(13)9(12)15-11/h3-5H,13H2,1-2H3
InChIKeyVSOCIYBBFBANKR-UHFFFAOYSA-N
MW283.19 g/mol
LogP3.77
Rot. Bonds1

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

5-bromo-2-(2,4-dimethylphenyl)-1,3-thiazol-4-amine (PubChem CID 116864287) has the molecular formula C11H11BrN2S and a molecular weight of 283.19 g/mol. Its IUPAC name is 5-bromo-2-(2,4-dimethylphenyl)-1,3-thiazol-4-amine.

Molecular Properties

Compound Name5-bromo-2-(2,4-dimethylphenyl)-1,3-thiazol-4-amine
PubChem CID116864287
Molecular FormulaC11H11BrN2S
Molecular Weight283.19 g/mol
Exact Mass281.98
IUPAC Name5-bromo-2-(2,4-dimethylphenyl)-1,3-thiazol-4-amine
SMILESCc1ccc(-c2nc(N)c(Br)s2)c(C)c1
InChIInChI=1S/C11H11BrN2S/c1-6-3-4-8(7(2)5-6)11-14-10(13)9(12)15-11/h3-5H,13H2,1-2H3
InChIKeyVSOCIYBBFBANKR-UHFFFAOYSA-N
XLogP3.77
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.19
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-(2,3,4-trimethylphenyl)-1,3-thiazol-4-amine
CID 116864382
5-bromo-2-(4-methoxy-2,5-dimethylphenyl)-1,3-thiazol-4-amine
CID 116864302
2-(2,4-dimethylphenyl)-1,3-thiazole-4-thiol
CID 116889620
3-chloro-5-(2,4-dimethylphenyl)-1,2,4-thiadiazole
CID 102944087
5-bromo-2-(5-chloro-2-methoxyphenyl)-1,3-thiazol-4-amine
CID 116864286
4-chloro-2-(2,4-dimethylphenyl)-1,3-benzothiazole
CID 95910467
5-(2,4-dimethylphenyl)-2-methylpyrimidin-4-amine
CID 82284415
5-(2,4-dimethylphenyl)-3-iodo-1,2,4-thiadiazole
CID 102943757
5-bromo-2-(4-tert-butylphenyl)-1,3-thiazol-4-amine
CID 116864269
5-(2,4-dimethylphenyl)-1,3-thiazol-2-amine
CID 61025121
2-(1-benzothiophen-3-yl)-5-bromo-1,3-thiazol-4-amine
CID 116864381
2,4-dimethylaniline;methanol
CID 70633605

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2,4-dimethylphenyl)-1,3-thiazol-4-amine?
The IUPAC name of 5-bromo-2-(2,4-dimethylphenyl)-1,3-thiazol-4-amine (CID 116864287) is 5-bromo-2-(2,4-dimethylphenyl)-1,3-thiazol-4-amine.
What is the SMILES notation for 5-bromo-2-(2,4-dimethylphenyl)-1,3-thiazol-4-amine?
The canonical SMILES for 5-bromo-2-(2,4-dimethylphenyl)-1,3-thiazol-4-amine is Cc1ccc(-c2nc(N)c(Br)s2)c(C)c1.
What is the InChIKey of 5-bromo-2-(2,4-dimethylphenyl)-1,3-thiazol-4-amine?
The InChIKey is VSOCIYBBFBANKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2S/c1-6-3-4-8(7(2)5-6)11-14-10(13)9(12)15-11/h3-5H,13H2,1-2H3.
What are the key properties of 5-bromo-2-(2,4-dimethylphenyl)-1,3-thiazol-4-amine?
5-bromo-2-(2,4-dimethylphenyl)-1,3-thiazol-4-amine has a molecular weight of 283.19 g/mol, XLogP of 3.77, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(2,4-dimethylphenyl)-1,3-thiazol-4-amine is sourced from PubChem (CID 116864287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).