4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-2-amine

C10H9BrN2OS — CID 746809

IUPAC4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-2-amine
SMILESCOc1ccc(-c2csc(N)n2)cc1Br
InChIInChI=1S/C10H9BrN2OS/c1-14-9-3-2-6(4-7(9)11)8-5-15-10(12)13-8/h2-5H,1H3,(H2,12,13)
InChIKeyVWSACNUWIZRJGM-UHFFFAOYSA-N
MW285.17 g/mol
LogP3.16
Rot. Bonds2

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

4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-2-amine (PubChem CID 746809) has the molecular formula C10H9BrN2OS and a molecular weight of 285.17 g/mol. Its IUPAC name is 4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-2-amine
PubChem CID746809
Molecular FormulaC10H9BrN2OS
Molecular Weight285.17 g/mol
Exact Mass283.96
IUPAC Name4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-2-amine
SMILESCOc1ccc(-c2csc(N)n2)cc1Br
InChIInChI=1S/C10H9BrN2OS/c1-14-9-3-2-6(4-7(9)11)8-5-15-10(12)13-8/h2-5H,1H3,(H2,12,13)
InChIKeyVWSACNUWIZRJGM-UHFFFAOYSA-N
XLogP3.16
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.17
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-2-amine (CID 746809) is 4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-2-amine is COc1ccc(-c2csc(N)n2)cc1Br.
What is the InChIKey of 4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-2-amine?
The InChIKey is VWSACNUWIZRJGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2OS/c1-14-9-3-2-6(4-7(9)11)8-5-15-10(12)13-8/h2-5H,1H3,(H2,12,13).
What are the key properties of 4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-2-amine?
4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-2-amine has a molecular weight of 285.17 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 746809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).