1-[5-(5-bromo-2-methoxyphenyl)-1,3-thiazol-2-yl]-N-methylmethanamine

C12H13BrN2OS — CID 82308985

IUPAC1-[5-(5-bromo-2-methoxyphenyl)-1,3-thiazol-2-yl]-N-methylmethanamine
SMILESCNCc1ncc(-c2cc(Br)ccc2OC)s1
InChIInChI=1S/C12H13BrN2OS/c1-14-7-12-15-6-11(17-12)9-5-8(13)3-4-10(9)16-2/h3-6,14H,7H2,1-2H3
InChIKeyLXBHMHISUZKUNF-UHFFFAOYSA-N
MW313.22 g/mol
LogP3.30
Rot. Bonds4

About 1-[5-(5-bromo-2-methoxyphenyl)-1,3-thiazol-2-yl]-N-methylmethanamine

1-[5-(5-bromo-2-methoxyphenyl)-1,3-thiazol-2-yl]-N-methylmethanamine (PubChem CID 82308985) has the molecular formula C12H13BrN2OS and a molecular weight of 313.22 g/mol. Its IUPAC name is 1-[5-(5-bromo-2-methoxyphenyl)-1,3-thiazol-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-(5-bromo-2-methoxyphenyl)-1,3-thiazol-2-yl]-N-methylmethanamine
PubChem CID82308985
Molecular FormulaC12H13BrN2OS
Molecular Weight313.22 g/mol
Exact Mass311.99
IUPAC Name1-[5-(5-bromo-2-methoxyphenyl)-1,3-thiazol-2-yl]-N-methylmethanamine
SMILESCNCc1ncc(-c2cc(Br)ccc2OC)s1
InChIInChI=1S/C12H13BrN2OS/c1-14-7-12-15-6-11(17-12)9-5-8(13)3-4-10(9)16-2/h3-6,14H,7H2,1-2H3
InChIKeyLXBHMHISUZKUNF-UHFFFAOYSA-N
XLogP3.30
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.22
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]methyl]cyclopropanamine
CID 53271922
1-[5-(4-bromo-2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-N-methylmethanamine
CID 115370308
1-[5-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-methylmethanamine
CID 46785062
1-[5-(3-methoxyphenyl)-1,3-thiazol-2-yl]-N-methylmethanamine
CID 46785061
2-[5-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]ethanamine
CID 82296518
5-(5-bromo-2-ethoxyphenyl)-1,3-thiazol-2-amine
CID 164893337
N-[[5-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
CID 53271953
N-[[2-(5-bromo-2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 61282726
[5-(5-bromo-2-methoxyphenyl)-1H-imidazol-2-yl]methanamine
CID 82307343
N-[[5-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]methyl]-2-pyridin-2-ylethanamine
CID 53271885
2-phenyl-N-[[5-(2,4,5-trimethoxyphenyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 53273059
N-methyl-1-[5-(1,2-thiazol-3-yl)-1,3-thiazol-2-yl]methanamine
CID 130604821

Frequently Asked Questions

What is the IUPAC name of 1-[5-(5-bromo-2-methoxyphenyl)-1,3-thiazol-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[5-(5-bromo-2-methoxyphenyl)-1,3-thiazol-2-yl]-N-methylmethanamine (CID 82308985) is 1-[5-(5-bromo-2-methoxyphenyl)-1,3-thiazol-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-(5-bromo-2-methoxyphenyl)-1,3-thiazol-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[5-(5-bromo-2-methoxyphenyl)-1,3-thiazol-2-yl]-N-methylmethanamine is CNCc1ncc(-c2cc(Br)ccc2OC)s1.
What is the InChIKey of 1-[5-(5-bromo-2-methoxyphenyl)-1,3-thiazol-2-yl]-N-methylmethanamine?
The InChIKey is LXBHMHISUZKUNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2OS/c1-14-7-12-15-6-11(17-12)9-5-8(13)3-4-10(9)16-2/h3-6,14H,7H2,1-2H3.
What are the key properties of 1-[5-(5-bromo-2-methoxyphenyl)-1,3-thiazol-2-yl]-N-methylmethanamine?
1-[5-(5-bromo-2-methoxyphenyl)-1,3-thiazol-2-yl]-N-methylmethanamine has a molecular weight of 313.22 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(5-bromo-2-methoxyphenyl)-1,3-thiazol-2-yl]-N-methylmethanamine is sourced from PubChem (CID 82308985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).