2-[3-bromo-5-methoxy-4-(1,3-thiazol-5-ylmethoxy)phenyl]ethanamine

C13H15BrN2O2S — CID 112643588

IUPAC2-[3-bromo-5-methoxy-4-(1,3-thiazol-5-ylmethoxy)phenyl]ethanamine
SMILESCOc1cc(CCN)cc(Br)c1OCc1cncs1
InChIInChI=1S/C13H15BrN2O2S/c1-17-12-5-9(2-3-15)4-11(14)13(12)18-7-10-6-16-8-19-10/h4-6,8H,2-3,7,15H2,1H3
InChIKeyYLEDBWFTSFYPSU-UHFFFAOYSA-N
MW343.25 g/mol
LogP2.99
Rot. Bonds6

About 2-[3-bromo-5-methoxy-4-(1,3-thiazol-5-ylmethoxy)phenyl]ethanamine

2-[3-bromo-5-methoxy-4-(1,3-thiazol-5-ylmethoxy)phenyl]ethanamine (PubChem CID 112643588) has the molecular formula C13H15BrN2O2S and a molecular weight of 343.25 g/mol. Its IUPAC name is 2-[3-bromo-5-methoxy-4-(1,3-thiazol-5-ylmethoxy)phenyl]ethanamine.

Molecular Properties

Compound Name2-[3-bromo-5-methoxy-4-(1,3-thiazol-5-ylmethoxy)phenyl]ethanamine
PubChem CID112643588
Molecular FormulaC13H15BrN2O2S
Molecular Weight343.25 g/mol
Exact Mass342.00
IUPAC Name2-[3-bromo-5-methoxy-4-(1,3-thiazol-5-ylmethoxy)phenyl]ethanamine
SMILESCOc1cc(CCN)cc(Br)c1OCc1cncs1
InChIInChI=1S/C13H15BrN2O2S/c1-17-12-5-9(2-3-15)4-11(14)13(12)18-7-10-6-16-8-19-10/h4-6,8H,2-3,7,15H2,1H3
InChIKeyYLEDBWFTSFYPSU-UHFFFAOYSA-N
XLogP2.99
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.25
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3,5-dibromo-4-(1,3-thiazol-5-ylmethoxy)phenyl]ethanamine
CID 107739564
2-[3-bromo-4-(3-fluoropropoxy)-5-methoxyphenyl]ethanamine
CID 81114019
1-[3-bromo-5-ethoxy-4-(1,3-thiazol-5-ylmethoxy)phenyl]propan-2-amine
CID 115979305
1-[3-bromo-5-ethoxy-4-(1,3-thiazol-5-ylmethoxy)phenyl]-N-methylmethanamine
CID 115978905
2-[3-bromo-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-5-methoxyphenyl]ethanamine
CID 60905184
1-[3,5-dibromo-4-(1,3-thiazol-5-ylmethoxy)phenyl]propan-2-amine
CID 107739833
2-[3-bromo-4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]-5-methoxyphenyl]ethanamine
CID 60905776
[4-methoxy-3-(1,3-thiazol-5-ylmethoxy)phenyl]methanamine
CID 112640286
2-(3-bromo-4-but-2-ynoxy-5-methoxyphenyl)ethanamine
CID 62310802
2-[3-bromo-5-methoxy-4-(2-methylprop-2-enoxy)phenyl]ethanamine
CID 54931058
2-[3-bromo-4-(3-ethoxypropoxy)-5-methoxyphenyl]ethanamine
CID 65180503
3-[4-(2-aminoethyl)-2-bromo-6-methoxyphenoxy]-2,2-dimethylpropanoic acid
CID 79620613

Frequently Asked Questions

What is the IUPAC name of 2-[3-bromo-5-methoxy-4-(1,3-thiazol-5-ylmethoxy)phenyl]ethanamine?
The IUPAC name of 2-[3-bromo-5-methoxy-4-(1,3-thiazol-5-ylmethoxy)phenyl]ethanamine (CID 112643588) is 2-[3-bromo-5-methoxy-4-(1,3-thiazol-5-ylmethoxy)phenyl]ethanamine.
What is the SMILES notation for 2-[3-bromo-5-methoxy-4-(1,3-thiazol-5-ylmethoxy)phenyl]ethanamine?
The canonical SMILES for 2-[3-bromo-5-methoxy-4-(1,3-thiazol-5-ylmethoxy)phenyl]ethanamine is COc1cc(CCN)cc(Br)c1OCc1cncs1.
What is the InChIKey of 2-[3-bromo-5-methoxy-4-(1,3-thiazol-5-ylmethoxy)phenyl]ethanamine?
The InChIKey is YLEDBWFTSFYPSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O2S/c1-17-12-5-9(2-3-15)4-11(14)13(12)18-7-10-6-16-8-19-10/h4-6,8H,2-3,7,15H2,1H3.
What are the key properties of 2-[3-bromo-5-methoxy-4-(1,3-thiazol-5-ylmethoxy)phenyl]ethanamine?
2-[3-bromo-5-methoxy-4-(1,3-thiazol-5-ylmethoxy)phenyl]ethanamine has a molecular weight of 343.25 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-bromo-5-methoxy-4-(1,3-thiazol-5-ylmethoxy)phenyl]ethanamine is sourced from PubChem (CID 112643588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).