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

C11H11BrN2OS — CID 164893337

IUPAC5-(5-bromo-2-ethoxyphenyl)-1,3-thiazol-2-amine
SMILESCCOc1ccc(Br)cc1-c1cnc(N)s1
InChIInChI=1S/C11H11BrN2OS/c1-2-15-9-4-3-7(12)5-8(9)10-6-14-11(13)16-10/h3-6H,2H2,1H3,(H2,13,14)
InChIKeyQJUFTIKQXQUDGP-UHFFFAOYSA-N
MW299.19 g/mol
LogP3.55
Rot. Bonds3

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

5-(5-bromo-2-ethoxyphenyl)-1,3-thiazol-2-amine (PubChem CID 164893337) has the molecular formula C11H11BrN2OS and a molecular weight of 299.19 g/mol. Its IUPAC name is 5-(5-bromo-2-ethoxyphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(5-bromo-2-ethoxyphenyl)-1,3-thiazol-2-amine
PubChem CID164893337
Molecular FormulaC11H11BrN2OS
Molecular Weight299.19 g/mol
Exact Mass297.98
IUPAC Name5-(5-bromo-2-ethoxyphenyl)-1,3-thiazol-2-amine
SMILESCCOc1ccc(Br)cc1-c1cnc(N)s1
InChIInChI=1S/C11H11BrN2OS/c1-2-15-9-4-3-7(12)5-8(9)10-6-14-11(13)16-10/h3-6H,2H2,1H3,(H2,13,14)
InChIKeyQJUFTIKQXQUDGP-UHFFFAOYSA-N
XLogP3.55
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.19
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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5-[(4-bromo-2-methylphenoxy)methyl]-1,3-thiazol-2-amine
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2-(5-bromo-2-ethoxyphenyl)furan
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Frequently Asked Questions

What is the IUPAC name of 5-(5-bromo-2-ethoxyphenyl)-1,3-thiazol-2-amine?
The IUPAC name of 5-(5-bromo-2-ethoxyphenyl)-1,3-thiazol-2-amine (CID 164893337) is 5-(5-bromo-2-ethoxyphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(5-bromo-2-ethoxyphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-(5-bromo-2-ethoxyphenyl)-1,3-thiazol-2-amine is CCOc1ccc(Br)cc1-c1cnc(N)s1.
What is the InChIKey of 5-(5-bromo-2-ethoxyphenyl)-1,3-thiazol-2-amine?
The InChIKey is QJUFTIKQXQUDGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2OS/c1-2-15-9-4-3-7(12)5-8(9)10-6-14-11(13)16-10/h3-6H,2H2,1H3,(H2,13,14).
What are the key properties of 5-(5-bromo-2-ethoxyphenyl)-1,3-thiazol-2-amine?
5-(5-bromo-2-ethoxyphenyl)-1,3-thiazol-2-amine has a molecular weight of 299.19 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-bromo-2-ethoxyphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 164893337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).