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

C10H9BrN2OS — CID 28913045

IUPAC4-[(3-bromophenoxy)methyl]-1,3-thiazol-2-amine
SMILESNc1nc(COc2cccc(Br)c2)cs1
InChIInChI=1S/C10H9BrN2OS/c11-7-2-1-3-9(4-7)14-5-8-6-15-10(12)13-8/h1-4,6H,5H2,(H2,12,13)
InChIKeyKEJQTLGELBHWLN-UHFFFAOYSA-N
MW285.17 g/mol
LogP3.07
Rot. Bonds3

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

4-[(3-bromophenoxy)methyl]-1,3-thiazol-2-amine (PubChem CID 28913045) has the molecular formula C10H9BrN2OS and a molecular weight of 285.17 g/mol. Its IUPAC name is 4-[(3-bromophenoxy)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[(3-bromophenoxy)methyl]-1,3-thiazol-2-amine
PubChem CID28913045
Molecular FormulaC10H9BrN2OS
Molecular Weight285.17 g/mol
Exact Mass283.96
IUPAC Name4-[(3-bromophenoxy)methyl]-1,3-thiazol-2-amine
SMILESNc1nc(COc2cccc(Br)c2)cs1
InChIInChI=1S/C10H9BrN2OS/c11-7-2-1-3-9(4-7)14-5-8-6-15-10(12)13-8/h1-4,6H,5H2,(H2,12,13)
InChIKeyKEJQTLGELBHWLN-UHFFFAOYSA-N
XLogP3.07
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.17
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(3-bromophenoxy)methyl]pyridin-2-amine
CID 79239271
4-[(4-iodophenoxy)methyl]-1,3-thiazol-2-amine
CID 43144743
4-[(3-bromophenoxy)methyl]-1-ethylimidazol-2-amine
CID 117191924
4-[(4-benzylphenoxy)methyl]-1,3-thiazol-2-amine
CID 62273519
4-[(2-bromo-4-methoxyphenoxy)methyl]-1,3-thiazol-2-amine
CID 113443676
5-bromo-2-[(3-bromophenoxy)methyl]pyridine
CID 104797443
4-[(3-bromophenoxy)methyl]thiadiazol-5-amine
CID 62193534
6-[(3-bromophenoxy)methyl]-N-methylpyridin-2-amine
CID 79239184
2-[(3-bromophenoxy)methyl]-1,3-oxazol-4-amine
CID 117186722
5-[(3-bromophenoxy)methyl]pyridin-2-amine
CID 62193709
2-[3-(3-bromophenoxy)propyl]-4-(chloromethyl)-1,3-thiazole
CID 43320173
6-[(3-bromophenoxy)methyl]pyridine-2-carbohydrazide
CID 106908833

Frequently Asked Questions

What is the IUPAC name of 4-[(3-bromophenoxy)methyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[(3-bromophenoxy)methyl]-1,3-thiazol-2-amine (CID 28913045) is 4-[(3-bromophenoxy)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[(3-bromophenoxy)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[(3-bromophenoxy)methyl]-1,3-thiazol-2-amine is Nc1nc(COc2cccc(Br)c2)cs1.
What is the InChIKey of 4-[(3-bromophenoxy)methyl]-1,3-thiazol-2-amine?
The InChIKey is KEJQTLGELBHWLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2OS/c11-7-2-1-3-9(4-7)14-5-8-6-15-10(12)13-8/h1-4,6H,5H2,(H2,12,13).
What are the key properties of 4-[(3-bromophenoxy)methyl]-1,3-thiazol-2-amine?
4-[(3-bromophenoxy)methyl]-1,3-thiazol-2-amine has a molecular weight of 285.17 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-bromophenoxy)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 28913045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).