[4-bromo-2-(2-methoxyphenoxy)-1,3-thiazol-5-yl]methanamine

C11H11BrN2O2S — CID 117258717

IUPAC[4-bromo-2-(2-methoxyphenoxy)-1,3-thiazol-5-yl]methanamine
SMILESCOc1ccccc1Oc1nc(Br)c(CN)s1
InChIInChI=1S/C11H11BrN2O2S/c1-15-7-4-2-3-5-8(7)16-11-14-10(12)9(6-13)17-11/h2-5H,6,13H2,1H3
InChIKeyJCAOLCZQMQVLHJ-UHFFFAOYSA-N
MW315.19 g/mol
LogP3.17
Rot. Bonds4

About [4-bromo-2-(2-methoxyphenoxy)-1,3-thiazol-5-yl]methanamine

[4-bromo-2-(2-methoxyphenoxy)-1,3-thiazol-5-yl]methanamine (PubChem CID 117258717) has the molecular formula C11H11BrN2O2S and a molecular weight of 315.19 g/mol. Its IUPAC name is [4-bromo-2-(2-methoxyphenoxy)-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[4-bromo-2-(2-methoxyphenoxy)-1,3-thiazol-5-yl]methanamine
PubChem CID117258717
Molecular FormulaC11H11BrN2O2S
Molecular Weight315.19 g/mol
Exact Mass313.97
IUPAC Name[4-bromo-2-(2-methoxyphenoxy)-1,3-thiazol-5-yl]methanamine
SMILESCOc1ccccc1Oc1nc(Br)c(CN)s1
InChIInChI=1S/C11H11BrN2O2S/c1-15-7-4-2-3-5-8(7)16-11-14-10(12)9(6-13)17-11/h2-5H,6,13H2,1H3
InChIKeyJCAOLCZQMQVLHJ-UHFFFAOYSA-N
XLogP3.17
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.19
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-bromo-2-(2-methoxyphenoxy)-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [4-bromo-2-(2-methoxyphenoxy)-1,3-thiazol-5-yl]methanamine (CID 117258717) is [4-bromo-2-(2-methoxyphenoxy)-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [4-bromo-2-(2-methoxyphenoxy)-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [4-bromo-2-(2-methoxyphenoxy)-1,3-thiazol-5-yl]methanamine is COc1ccccc1Oc1nc(Br)c(CN)s1.
What is the InChIKey of [4-bromo-2-(2-methoxyphenoxy)-1,3-thiazol-5-yl]methanamine?
The InChIKey is JCAOLCZQMQVLHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O2S/c1-15-7-4-2-3-5-8(7)16-11-14-10(12)9(6-13)17-11/h2-5H,6,13H2,1H3.
What are the key properties of [4-bromo-2-(2-methoxyphenoxy)-1,3-thiazol-5-yl]methanamine?
[4-bromo-2-(2-methoxyphenoxy)-1,3-thiazol-5-yl]methanamine has a molecular weight of 315.19 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-bromo-2-(2-methoxyphenoxy)-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 117258717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).