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

C9H6BrClN2S — CID 130836009

IUPAC2-(5-bromo-2-chlorophenyl)-1,3-thiazol-4-amine
SMILESNc1csc(-c2cc(Br)ccc2Cl)n1
InChIInChI=1S/C9H6BrClN2S/c10-5-1-2-7(11)6(3-5)9-13-8(12)4-14-9/h1-4H,12H2
InChIKeyRWNBAFLDSIXLBX-UHFFFAOYSA-N
MW289.59 g/mol
LogP3.81
Rot. Bonds1

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

2-(5-bromo-2-chlorophenyl)-1,3-thiazol-4-amine (PubChem CID 130836009) has the molecular formula C9H6BrClN2S and a molecular weight of 289.59 g/mol. Its IUPAC name is 2-(5-bromo-2-chlorophenyl)-1,3-thiazol-4-amine.

Molecular Properties

Compound Name2-(5-bromo-2-chlorophenyl)-1,3-thiazol-4-amine
PubChem CID130836009
Molecular FormulaC9H6BrClN2S
Molecular Weight289.59 g/mol
Exact Mass287.91
IUPAC Name2-(5-bromo-2-chlorophenyl)-1,3-thiazol-4-amine
SMILESNc1csc(-c2cc(Br)ccc2Cl)n1
InChIInChI=1S/C9H6BrClN2S/c10-5-1-2-7(11)6(3-5)9-13-8(12)4-14-9/h1-4H,12H2
InChIKeyRWNBAFLDSIXLBX-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 2-(5-bromo-2-chlorophenyl)-1,3-thiazol-4-amine?
The IUPAC name of 2-(5-bromo-2-chlorophenyl)-1,3-thiazol-4-amine (CID 130836009) is 2-(5-bromo-2-chlorophenyl)-1,3-thiazol-4-amine.
What is the SMILES notation for 2-(5-bromo-2-chlorophenyl)-1,3-thiazol-4-amine?
The canonical SMILES for 2-(5-bromo-2-chlorophenyl)-1,3-thiazol-4-amine is Nc1csc(-c2cc(Br)ccc2Cl)n1.
What is the InChIKey of 2-(5-bromo-2-chlorophenyl)-1,3-thiazol-4-amine?
The InChIKey is RWNBAFLDSIXLBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrClN2S/c10-5-1-2-7(11)6(3-5)9-13-8(12)4-14-9/h1-4H,12H2.
What are the key properties of 2-(5-bromo-2-chlorophenyl)-1,3-thiazol-4-amine?
2-(5-bromo-2-chlorophenyl)-1,3-thiazol-4-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 2-(5-bromo-2-chlorophenyl)-1,3-thiazol-4-amine is sourced from PubChem (CID 130836009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).