5-(2-bromophenyl)-N-ethyl-1,3-thiazol-2-amine

C11H11BrN2S — CID 116812031

IUPAC5-(2-bromophenyl)-N-ethyl-1,3-thiazol-2-amine
SMILESCCNc1ncc(-c2ccccc2Br)s1
InChIInChI=1S/C11H11BrN2S/c1-2-13-11-14-7-10(15-11)8-5-3-4-6-9(8)12/h3-7H,2H2,1H3,(H,13,14)
InChIKeyWKHHQXGTOOHUDA-UHFFFAOYSA-N
MW283.19 g/mol
LogP4.00
Rot. Bonds3

About 5-(2-bromophenyl)-N-ethyl-1,3-thiazol-2-amine

5-(2-bromophenyl)-N-ethyl-1,3-thiazol-2-amine (PubChem CID 116812031) has the molecular formula C11H11BrN2S and a molecular weight of 283.19 g/mol. Its IUPAC name is 5-(2-bromophenyl)-N-ethyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(2-bromophenyl)-N-ethyl-1,3-thiazol-2-amine
PubChem CID116812031
Molecular FormulaC11H11BrN2S
Molecular Weight283.19 g/mol
Exact Mass281.98
IUPAC Name5-(2-bromophenyl)-N-ethyl-1,3-thiazol-2-amine
SMILESCCNc1ncc(-c2ccccc2Br)s1
InChIInChI=1S/C11H11BrN2S/c1-2-13-11-14-7-10(15-11)8-5-3-4-6-9(8)12/h3-7H,2H2,1H3,(H,13,14)
InChIKeyWKHHQXGTOOHUDA-UHFFFAOYSA-N
XLogP4.00
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.19
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-bromophenyl)-N-ethyl-1,3-thiazol-2-amine?
The IUPAC name of 5-(2-bromophenyl)-N-ethyl-1,3-thiazol-2-amine (CID 116812031) is 5-(2-bromophenyl)-N-ethyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(2-bromophenyl)-N-ethyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-(2-bromophenyl)-N-ethyl-1,3-thiazol-2-amine is CCNc1ncc(-c2ccccc2Br)s1.
What is the InChIKey of 5-(2-bromophenyl)-N-ethyl-1,3-thiazol-2-amine?
The InChIKey is WKHHQXGTOOHUDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2S/c1-2-13-11-14-7-10(15-11)8-5-3-4-6-9(8)12/h3-7H,2H2,1H3,(H,13,14).
What are the key properties of 5-(2-bromophenyl)-N-ethyl-1,3-thiazol-2-amine?
5-(2-bromophenyl)-N-ethyl-1,3-thiazol-2-amine has a molecular weight of 283.19 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromophenyl)-N-ethyl-1,3-thiazol-2-amine is sourced from PubChem (CID 116812031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).