5-[(2,4-dibromo-5-methoxyphenyl)methyl]-1,3-thiazol-2-amine

C11H10Br2N2OS — CID 103416449

IUPAC5-[(2,4-dibromo-5-methoxyphenyl)methyl]-1,3-thiazol-2-amine
SMILESCOc1cc(Cc2cnc(N)s2)c(Br)cc1Br
InChIInChI=1S/C11H10Br2N2OS/c1-16-10-3-6(8(12)4-9(10)13)2-7-5-15-11(14)17-7/h3-5H,2H2,1H3,(H2,14,15)
InChIKeyZSGGAIAWYTWUCJ-UHFFFAOYSA-N
MW378.09 g/mol
LogP3.85
Rot. Bonds3

About 5-[(2,4-dibromo-5-methoxyphenyl)methyl]-1,3-thiazol-2-amine

5-[(2,4-dibromo-5-methoxyphenyl)methyl]-1,3-thiazol-2-amine (PubChem CID 103416449) has the molecular formula C11H10Br2N2OS and a molecular weight of 378.09 g/mol. Its IUPAC name is 5-[(2,4-dibromo-5-methoxyphenyl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(2,4-dibromo-5-methoxyphenyl)methyl]-1,3-thiazol-2-amine
PubChem CID103416449
Molecular FormulaC11H10Br2N2OS
Molecular Weight378.09 g/mol
Exact Mass375.89
IUPAC Name5-[(2,4-dibromo-5-methoxyphenyl)methyl]-1,3-thiazol-2-amine
SMILESCOc1cc(Cc2cnc(N)s2)c(Br)cc1Br
InChIInChI=1S/C11H10Br2N2OS/c1-16-10-3-6(8(12)4-9(10)13)2-7-5-15-11(14)17-7/h3-5H,2H2,1H3,(H2,14,15)
InChIKeyZSGGAIAWYTWUCJ-UHFFFAOYSA-N
XLogP3.85
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.09
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2,4-dibromo-5-methoxyphenyl)methyl]-4-methyl-1,3-thiazol-2-amine
CID 103416442
5-[(4-chloro-3-methoxyphenyl)methyl]-1,3-thiazol-2-amine
CID 107622752
5-[(3-bromo-4-methylphenyl)methyl]-1,3-thiazol-2-amine
CID 63334948
5-[2-(2-methoxyphenoxy)ethyl]-1,3-thiazol-2-amine
CID 113370258
5-[[3-bromo-4-(trifluoromethoxy)phenoxy]methyl]-1,3-thiazol-2-amine
CID 102714952
5-[(2,4,6-trimethylphenyl)methyl]-1,3-thiazol-2-amine
CID 86062297
2-(2-amino-1,3-thiazol-5-yl)acetic acid;methoxymethane
CID 126619372
5-(2-methoxyethoxymethyl)-1,3-thiazol-2-amine
CID 79775147
5-[(4-bromo-2-methylphenoxy)methyl]-1,3-thiazol-2-amine
CID 79773932
5-[(2-methoxy-N-methylanilino)methyl]-1,3-thiazol-2-amine
CID 79772599
5-[[cyclopropylmethyl-[(2,4-dimethoxyphenyl)methyl]amino]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120904564
5-[(2-chloro-3-fluorophenyl)methyl]-1,3-thiazol-2-amine
CID 87352618

Frequently Asked Questions

What is the IUPAC name of 5-[(2,4-dibromo-5-methoxyphenyl)methyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[(2,4-dibromo-5-methoxyphenyl)methyl]-1,3-thiazol-2-amine (CID 103416449) is 5-[(2,4-dibromo-5-methoxyphenyl)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(2,4-dibromo-5-methoxyphenyl)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(2,4-dibromo-5-methoxyphenyl)methyl]-1,3-thiazol-2-amine is COc1cc(Cc2cnc(N)s2)c(Br)cc1Br.
What is the InChIKey of 5-[(2,4-dibromo-5-methoxyphenyl)methyl]-1,3-thiazol-2-amine?
The InChIKey is ZSGGAIAWYTWUCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Br2N2OS/c1-16-10-3-6(8(12)4-9(10)13)2-7-5-15-11(14)17-7/h3-5H,2H2,1H3,(H2,14,15).
What are the key properties of 5-[(2,4-dibromo-5-methoxyphenyl)methyl]-1,3-thiazol-2-amine?
5-[(2,4-dibromo-5-methoxyphenyl)methyl]-1,3-thiazol-2-amine has a molecular weight of 378.09 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,4-dibromo-5-methoxyphenyl)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 103416449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).