5-(3-bromo-5-chlorophenyl)-1,3-thiazol-2-amine

C9H6BrClN2S — CID 164892159

IUPAC5-(3-bromo-5-chlorophenyl)-1,3-thiazol-2-amine
SMILESNc1ncc(-c2cc(Cl)cc(Br)c2)s1
InChIInChI=1S/C9H6BrClN2S/c10-6-1-5(2-7(11)3-6)8-4-13-9(12)14-8/h1-4H,(H2,12,13)
InChIKeyFXIBDEWTGRLUFF-UHFFFAOYSA-N
MW289.59 g/mol
LogP3.81
Rot. Bonds1

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

5-(3-bromo-5-chlorophenyl)-1,3-thiazol-2-amine (PubChem CID 164892159) has the molecular formula C9H6BrClN2S and a molecular weight of 289.59 g/mol. Its IUPAC name is 5-(3-bromo-5-chlorophenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(3-bromo-5-chlorophenyl)-1,3-thiazol-2-amine
PubChem CID164892159
Molecular FormulaC9H6BrClN2S
Molecular Weight289.59 g/mol
Exact Mass287.91
IUPAC Name5-(3-bromo-5-chlorophenyl)-1,3-thiazol-2-amine
SMILESNc1ncc(-c2cc(Cl)cc(Br)c2)s1
InChIInChI=1S/C9H6BrClN2S/c10-6-1-5(2-7(11)3-6)8-4-13-9(12)14-8/h1-4H,(H2,12,13)
InChIKeyFXIBDEWTGRLUFF-UHFFFAOYSA-N
XLogP3.81
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.59
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3-bromo-5-chlorophenyl)-1,3-thiazol-2-amine?
The IUPAC name of 5-(3-bromo-5-chlorophenyl)-1,3-thiazol-2-amine (CID 164892159) is 5-(3-bromo-5-chlorophenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(3-bromo-5-chlorophenyl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-(3-bromo-5-chlorophenyl)-1,3-thiazol-2-amine is Nc1ncc(-c2cc(Cl)cc(Br)c2)s1.
What is the InChIKey of 5-(3-bromo-5-chlorophenyl)-1,3-thiazol-2-amine?
The InChIKey is FXIBDEWTGRLUFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrClN2S/c10-6-1-5(2-7(11)3-6)8-4-13-9(12)14-8/h1-4H,(H2,12,13).
What are the key properties of 5-(3-bromo-5-chlorophenyl)-1,3-thiazol-2-amine?
5-(3-bromo-5-chlorophenyl)-1,3-thiazol-2-amine has a molecular weight of 289.59 g/mol, XLogP of 3.81, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromo-5-chlorophenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 164892159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).