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

C12H13BrN2OS — CID 114078190

IUPAC1-[2-(2-bromo-5-methoxyphenyl)-1,3-thiazol-5-yl]-N-methylmethanamine
SMILESCNCc1cnc(-c2cc(OC)ccc2Br)s1
InChIInChI=1S/C12H13BrN2OS/c1-14-6-9-7-15-12(17-9)10-5-8(16-2)3-4-11(10)13/h3-5,7,14H,6H2,1-2H3
InChIKeyFFAXOWPGJXSQLV-UHFFFAOYSA-N
MW313.22 g/mol
LogP3.30
Rot. Bonds4

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

1-[2-(2-bromo-5-methoxyphenyl)-1,3-thiazol-5-yl]-N-methylmethanamine (PubChem CID 114078190) has the molecular formula C12H13BrN2OS and a molecular weight of 313.22 g/mol. Its IUPAC name is 1-[2-(2-bromo-5-methoxyphenyl)-1,3-thiazol-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(2-bromo-5-methoxyphenyl)-1,3-thiazol-5-yl]-N-methylmethanamine
PubChem CID114078190
Molecular FormulaC12H13BrN2OS
Molecular Weight313.22 g/mol
Exact Mass311.99
IUPAC Name1-[2-(2-bromo-5-methoxyphenyl)-1,3-thiazol-5-yl]-N-methylmethanamine
SMILESCNCc1cnc(-c2cc(OC)ccc2Br)s1
InChIInChI=1S/C12H13BrN2OS/c1-14-6-9-7-15-12(17-9)10-5-8(16-2)3-4-11(10)13/h3-5,7,14H,6H2,1-2H3
InChIKeyFFAXOWPGJXSQLV-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

1-[2-(6-methoxynaphthalen-2-yl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 61280182
1-[2-(5-bromo-2-fluorophenyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114895190
2-[5-(2-bromo-5-methoxyphenyl)-1,3-oxazol-2-yl]-N-methylethanamine
CID 65182889
N-[[2-(2-bromo-5-chlorophenyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 66161660
N-[[2-(2-bromo-5-chlorophenyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 66158910
N-[[2-(2-fluoro-4-methoxyphenyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 81304184
2-[5-(2-bromo-5-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine
CID 55065618
2-methoxy-5-[5-(methylaminomethyl)-1,3-thiazol-2-yl]phenol
CID 61280570
1-[2-(2-bromo-6-fluorophenyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114887585
1-[2-(5-ethylthiophen-2-yl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 62318685
1-[2-(3-ethoxyphenyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 61280554
N-[[2-(5-bromo-2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 61282726

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-bromo-5-methoxyphenyl)-1,3-thiazol-5-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-(2-bromo-5-methoxyphenyl)-1,3-thiazol-5-yl]-N-methylmethanamine (CID 114078190) is 1-[2-(2-bromo-5-methoxyphenyl)-1,3-thiazol-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(2-bromo-5-methoxyphenyl)-1,3-thiazol-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(2-bromo-5-methoxyphenyl)-1,3-thiazol-5-yl]-N-methylmethanamine is CNCc1cnc(-c2cc(OC)ccc2Br)s1.
What is the InChIKey of 1-[2-(2-bromo-5-methoxyphenyl)-1,3-thiazol-5-yl]-N-methylmethanamine?
The InChIKey is FFAXOWPGJXSQLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2OS/c1-14-6-9-7-15-12(17-9)10-5-8(16-2)3-4-11(10)13/h3-5,7,14H,6H2,1-2H3.
What are the key properties of 1-[2-(2-bromo-5-methoxyphenyl)-1,3-thiazol-5-yl]-N-methylmethanamine?
1-[2-(2-bromo-5-methoxyphenyl)-1,3-thiazol-5-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-[2-(2-bromo-5-methoxyphenyl)-1,3-thiazol-5-yl]-N-methylmethanamine is sourced from PubChem (CID 114078190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).