4-[(2-bromo-4-methoxyphenoxy)methyl]-1,3-thiazol-2-amine

C11H11BrN2O2S — CID 113443676

IUPAC4-[(2-bromo-4-methoxyphenoxy)methyl]-1,3-thiazol-2-amine
SMILESCOc1ccc(OCc2csc(N)n2)c(Br)c1
InChIInChI=1S/C11H11BrN2O2S/c1-15-8-2-3-10(9(12)4-8)16-5-7-6-17-11(13)14-7/h2-4,6H,5H2,1H3,(H2,13,14)
InChIKeyNIMAAOWHGQVWLO-UHFFFAOYSA-N
MW315.19 g/mol
LogP3.08
Rot. Bonds4

About 4-[(2-bromo-4-methoxyphenoxy)methyl]-1,3-thiazol-2-amine

4-[(2-bromo-4-methoxyphenoxy)methyl]-1,3-thiazol-2-amine (PubChem CID 113443676) has the molecular formula C11H11BrN2O2S and a molecular weight of 315.19 g/mol. Its IUPAC name is 4-[(2-bromo-4-methoxyphenoxy)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[(2-bromo-4-methoxyphenoxy)methyl]-1,3-thiazol-2-amine
PubChem CID113443676
Molecular FormulaC11H11BrN2O2S
Molecular Weight315.19 g/mol
Exact Mass313.97
IUPAC Name4-[(2-bromo-4-methoxyphenoxy)methyl]-1,3-thiazol-2-amine
SMILESCOc1ccc(OCc2csc(N)n2)c(Br)c1
InChIInChI=1S/C11H11BrN2O2S/c1-15-8-2-3-10(9(12)4-8)16-5-7-6-17-11(13)14-7/h2-4,6H,5H2,1H3,(H2,13,14)
InChIKeyNIMAAOWHGQVWLO-UHFFFAOYSA-N
XLogP3.08
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 ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[(2-bromo-4-methoxyphenoxy)methyl]-1,3-thiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(2-bromo-4-methoxyphenoxy)methyl]-2-propan-2-yl-1,3-thiazole
CID 104704731
[6-[(2-bromo-4-methoxyphenoxy)methyl]-2-pyridinyl]methanamine
CID 106908648
3-bromo-2-[(2-bromo-4-methoxyphenoxy)methyl]thiophene
CID 104707478
4-[(2,4,5-trimethylphenoxy)methyl]-1,3-thiazol-2-amine
CID 82086931
4-[(2,4-difluorophenoxy)methyl]-1,3-thiazol-2-amine
CID 43137897
4-[(3-bromophenoxy)methyl]-1,3-thiazol-2-amine
CID 28913045
2-[(2-bromo-4-methoxyphenoxy)methyl]quinoline
CID 104707445
[5-[(2-bromo-4-methoxyphenoxy)methyl]pyrazin-2-yl]hydrazine
CID 103061987
5-methoxy-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]benzoic acid
CID 61037478
4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-amine
CID 675262
4-[(4-iodophenoxy)methyl]-1,3-thiazol-2-amine
CID 43144743
4-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazol-2-amine
CID 43137911

Frequently Asked Questions

What is the IUPAC name of 4-[(2-bromo-4-methoxyphenoxy)methyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[(2-bromo-4-methoxyphenoxy)methyl]-1,3-thiazol-2-amine (CID 113443676) is 4-[(2-bromo-4-methoxyphenoxy)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[(2-bromo-4-methoxyphenoxy)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[(2-bromo-4-methoxyphenoxy)methyl]-1,3-thiazol-2-amine is COc1ccc(OCc2csc(N)n2)c(Br)c1.
What is the InChIKey of 4-[(2-bromo-4-methoxyphenoxy)methyl]-1,3-thiazol-2-amine?
The InChIKey is NIMAAOWHGQVWLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O2S/c1-15-8-2-3-10(9(12)4-8)16-5-7-6-17-11(13)14-7/h2-4,6H,5H2,1H3,(H2,13,14).
What are the key properties of 4-[(2-bromo-4-methoxyphenoxy)methyl]-1,3-thiazol-2-amine?
4-[(2-bromo-4-methoxyphenoxy)methyl]-1,3-thiazol-2-amine has a molecular weight of 315.19 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-bromo-4-methoxyphenoxy)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 113443676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).