1-(3-bromophenyl)-1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylmethanamine

C13H15BrN2S — CID 61332321

IUPAC1-(3-bromophenyl)-1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylmethanamine
SMILESCNC(c1cccc(Br)c1)c1nc(C)c(C)s1
InChIInChI=1S/C13H15BrN2S/c1-8-9(2)17-13(16-8)12(15-3)10-5-4-6-11(14)7-10/h4-7,12,15H,1-3H3
InChIKeyFSTSDXKWALUMIL-UHFFFAOYSA-N
MW311.25 g/mol
LogP3.83
Rot. Bonds3

About 1-(3-bromophenyl)-1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylmethanamine

1-(3-bromophenyl)-1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylmethanamine (PubChem CID 61332321) has the molecular formula C13H15BrN2S and a molecular weight of 311.25 g/mol. Its IUPAC name is 1-(3-bromophenyl)-1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-bromophenyl)-1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylmethanamine
PubChem CID61332321
Molecular FormulaC13H15BrN2S
Molecular Weight311.25 g/mol
Exact Mass310.01
IUPAC Name1-(3-bromophenyl)-1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylmethanamine
SMILESCNC(c1cccc(Br)c1)c1nc(C)c(C)s1
InChIInChI=1S/C13H15BrN2S/c1-8-9(2)17-13(16-8)12(15-3)10-5-4-6-11(14)7-10/h4-7,12,15H,1-3H3
InChIKeyFSTSDXKWALUMIL-UHFFFAOYSA-N
XLogP3.83
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.25
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(3-ethoxyphenyl)-N-methylmethanamine
CID 61332716
1-(3-bromophenyl)-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)methanamine
CID 61332500
1-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-fluorophenyl)-N-methylmethanamine
CID 61332320
1-(2,6-dichlorophenyl)-1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylmethanamine
CID 61331729
1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methyl-1-[4-(trifluoromethyl)phenyl]methanamine
CID 61331531
1-(3-bromophenyl)-1-(4-fluoro-3,5-dimethylphenyl)-N-methylmethanamine
CID 65299050
1-(3-bromophenyl)-N-methyl-1-(2-methylphenyl)methanamine
CID 60819031
1-(3-bromophenyl)-1-(3,4-dichlorophenyl)-N-methylmethanamine
CID 43486480
1-(3-bromophenyl)-N-methyl-1-pyrimidin-5-ylmethanamine
CID 62491207
1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methyl-1-(5-methylthiophen-2-yl)methanamine
CID 61346609
1-bromo-1-(3-bromophenyl)-N-methylmethanamine
CID 116961987
1-(3-bromophenyl)-1-(furan-3-yl)-N-methylmethanamine
CID 63948375

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(3-bromophenyl)-1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylmethanamine (CID 61332321) is 1-(3-bromophenyl)-1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-bromophenyl)-1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(3-bromophenyl)-1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylmethanamine is CNC(c1cccc(Br)c1)c1nc(C)c(C)s1.
What is the InChIKey of 1-(3-bromophenyl)-1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylmethanamine?
The InChIKey is FSTSDXKWALUMIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2S/c1-8-9(2)17-13(16-8)12(15-3)10-5-4-6-11(14)7-10/h4-7,12,15H,1-3H3.
What are the key properties of 1-(3-bromophenyl)-1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylmethanamine?
1-(3-bromophenyl)-1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylmethanamine has a molecular weight of 311.25 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylmethanamine is sourced from PubChem (CID 61332321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).