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

C11H11BrN2O2S — CID 4678417

IUPAC4-(2-bromo-4,5-dimethoxyphenyl)-1,3-thiazol-2-amine
SMILESCOc1cc(Br)c(-c2csc(N)n2)cc1OC
InChIInChI=1S/C11H11BrN2O2S/c1-15-9-3-6(7(12)4-10(9)16-2)8-5-17-11(13)14-8/h3-5H,1-2H3,(H2,13,14)
InChIKeyORRYINCMGDLOPB-UHFFFAOYSA-N
MW315.19 g/mol
LogP3.17
Rot. Bonds3

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

4-(2-bromo-4,5-dimethoxyphenyl)-1,3-thiazol-2-amine (PubChem CID 4678417) has the molecular formula C11H11BrN2O2S and a molecular weight of 315.19 g/mol. Its IUPAC name is 4-(2-bromo-4,5-dimethoxyphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(2-bromo-4,5-dimethoxyphenyl)-1,3-thiazol-2-amine
PubChem CID4678417
Molecular FormulaC11H11BrN2O2S
Molecular Weight315.19 g/mol
Exact Mass313.97
IUPAC Name4-(2-bromo-4,5-dimethoxyphenyl)-1,3-thiazol-2-amine
SMILESCOc1cc(Br)c(-c2csc(N)n2)cc1OC
InChIInChI=1S/C11H11BrN2O2S/c1-15-9-3-6(7(12)4-10(9)16-2)8-5-17-11(13)14-8/h3-5H,1-2H3,(H2,13,14)
InChIKeyORRYINCMGDLOPB-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-(2-bromo-4,5-dimethoxyphenyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(2-bromo-4,5-dimethoxyphenyl)-1,3-thiazol-2-amine (CID 4678417) is 4-(2-bromo-4,5-dimethoxyphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(2-bromo-4,5-dimethoxyphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(2-bromo-4,5-dimethoxyphenyl)-1,3-thiazol-2-amine is COc1cc(Br)c(-c2csc(N)n2)cc1OC.
What is the InChIKey of 4-(2-bromo-4,5-dimethoxyphenyl)-1,3-thiazol-2-amine?
The InChIKey is ORRYINCMGDLOPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O2S/c1-15-9-3-6(7(12)4-10(9)16-2)8-5-17-11(13)14-8/h3-5H,1-2H3,(H2,13,14).
What are the key properties of 4-(2-bromo-4,5-dimethoxyphenyl)-1,3-thiazol-2-amine?
4-(2-bromo-4,5-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-(2-bromo-4,5-dimethoxyphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 4678417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).