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

C11H11BrN2O2S — CID 3757650

IUPAC4-(5-bromo-2,4-dimethoxyphenyl)-1,3-thiazol-2-amine
SMILESCOc1cc(OC)c(-c2csc(N)n2)cc1Br
InChIInChI=1S/C11H11BrN2O2S/c1-15-9-4-10(16-2)7(12)3-6(9)8-5-17-11(13)14-8/h3-5H,1-2H3,(H2,13,14)
InChIKeySZIZGAJPZFWHBQ-UHFFFAOYSA-N
MW315.19 g/mol
LogP3.17
Rot. Bonds3

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

4-(5-bromo-2,4-dimethoxyphenyl)-1,3-thiazol-2-amine (PubChem CID 3757650) has the molecular formula C11H11BrN2O2S and a molecular weight of 315.19 g/mol. Its IUPAC name is 4-(5-bromo-2,4-dimethoxyphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(5-bromo-2,4-dimethoxyphenyl)-1,3-thiazol-2-amine
PubChem CID3757650
Molecular FormulaC11H11BrN2O2S
Molecular Weight315.19 g/mol
Exact Mass313.97
IUPAC Name4-(5-bromo-2,4-dimethoxyphenyl)-1,3-thiazol-2-amine
SMILESCOc1cc(OC)c(-c2csc(N)n2)cc1Br
InChIInChI=1S/C11H11BrN2O2S/c1-15-9-4-10(16-2)7(12)3-6(9)8-5-17-11(13)14-8/h3-5H,1-2H3,(H2,13,14)
InChIKeySZIZGAJPZFWHBQ-UHFFFAOYSA-N
XLogP3.17
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.19
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-2,4-dimethoxyphenyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(5-bromo-2,4-dimethoxyphenyl)-1,3-thiazol-2-amine (CID 3757650) is 4-(5-bromo-2,4-dimethoxyphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(5-bromo-2,4-dimethoxyphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(5-bromo-2,4-dimethoxyphenyl)-1,3-thiazol-2-amine is COc1cc(OC)c(-c2csc(N)n2)cc1Br.
What is the InChIKey of 4-(5-bromo-2,4-dimethoxyphenyl)-1,3-thiazol-2-amine?
The InChIKey is SZIZGAJPZFWHBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O2S/c1-15-9-4-10(16-2)7(12)3-6(9)8-5-17-11(13)14-8/h3-5H,1-2H3,(H2,13,14).
What are the key properties of 4-(5-bromo-2,4-dimethoxyphenyl)-1,3-thiazol-2-amine?
4-(5-bromo-2,4-dimethoxyphenyl)-1,3-thiazol-2-amine has a molecular weight of 315.19 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-2,4-dimethoxyphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 3757650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).