2-[(4-bromophenyl)methoxy]-1,3-thiazol-5-amine

C10H9BrN2OS — CID 102769593

IUPAC2-[(4-bromophenyl)methoxy]-1,3-thiazol-5-amine
SMILESNc1cnc(OCc2ccc(Br)cc2)s1
InChIInChI=1S/C10H9BrN2OS/c11-8-3-1-7(2-4-8)6-14-10-13-5-9(12)15-10/h1-5H,6,12H2
InChIKeyYQJXRCCAIOIDQT-UHFFFAOYSA-N
MW285.17 g/mol
LogP3.07
Rot. Bonds3

About 2-[(4-bromophenyl)methoxy]-1,3-thiazol-5-amine

2-[(4-bromophenyl)methoxy]-1,3-thiazol-5-amine (PubChem CID 102769593) has the molecular formula C10H9BrN2OS and a molecular weight of 285.17 g/mol. Its IUPAC name is 2-[(4-bromophenyl)methoxy]-1,3-thiazol-5-amine.

Molecular Properties

Compound Name2-[(4-bromophenyl)methoxy]-1,3-thiazol-5-amine
PubChem CID102769593
Molecular FormulaC10H9BrN2OS
Molecular Weight285.17 g/mol
Exact Mass283.96
IUPAC Name2-[(4-bromophenyl)methoxy]-1,3-thiazol-5-amine
SMILESNc1cnc(OCc2ccc(Br)cc2)s1
InChIInChI=1S/C10H9BrN2OS/c11-8-3-1-7(2-4-8)6-14-10-13-5-9(12)15-10/h1-5H,6,12H2
InChIKeyYQJXRCCAIOIDQT-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

4-[(4-bromophenyl)methoxy]-5-chloropyrimidin-2-amine
CID 82825368
1-[4-[(5-bromo-1,3-thiazol-2-yl)oxymethyl]phenyl]ethanone
CID 67759076
2-(5-bromo-2-methylphenoxy)-1,3-thiazol-5-amine
CID 107283345
[5-[(4-bromophenyl)methoxy]pyrazin-2-yl]methanamine
CID 82828118
5-[(4-bromophenyl)methoxy]-2-methyl-1,3-benzothiazol-6-amine
CID 82827800
3-amino-2-[(4-bromophenyl)methoxy]pyridine-4-carbonitrile
CID 82828614
3-[(4-bromophenyl)methoxy]-1-methylpyrazol-4-amine
CID 103079210
4-[(4-bromophenyl)methoxy]-2,1,3-benzoxadiazol-7-amine
CID 82828278
5-[[(4-bromophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-amine
CID 79772146
2-bromo-6-[(4-bromophenyl)methoxy]pyridine
CID 82824913
4-(1,2,4-thiadiazol-5-yloxymethyl)aniline
CID 65274184
1,4-dibromo-2-[(4-bromophenyl)methoxy]benzene
CID 59330950

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)methoxy]-1,3-thiazol-5-amine?
The IUPAC name of 2-[(4-bromophenyl)methoxy]-1,3-thiazol-5-amine (CID 102769593) is 2-[(4-bromophenyl)methoxy]-1,3-thiazol-5-amine.
What is the SMILES notation for 2-[(4-bromophenyl)methoxy]-1,3-thiazol-5-amine?
The canonical SMILES for 2-[(4-bromophenyl)methoxy]-1,3-thiazol-5-amine is Nc1cnc(OCc2ccc(Br)cc2)s1.
What is the InChIKey of 2-[(4-bromophenyl)methoxy]-1,3-thiazol-5-amine?
The InChIKey is YQJXRCCAIOIDQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2OS/c11-8-3-1-7(2-4-8)6-14-10-13-5-9(12)15-10/h1-5H,6,12H2.
What are the key properties of 2-[(4-bromophenyl)methoxy]-1,3-thiazol-5-amine?
2-[(4-bromophenyl)methoxy]-1,3-thiazol-5-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 2-[(4-bromophenyl)methoxy]-1,3-thiazol-5-amine is sourced from PubChem (CID 102769593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).