1-[2-(2-bromophenyl)-1,3-thiazol-5-yl]-N-methylpropan-2-amine

C13H15BrN2S — CID 115091875

IUPAC1-[2-(2-bromophenyl)-1,3-thiazol-5-yl]-N-methylpropan-2-amine
SMILESCNC(C)Cc1cnc(-c2ccccc2Br)s1
InChIInChI=1S/C13H15BrN2S/c1-9(15-2)7-10-8-16-13(17-10)11-5-3-4-6-12(11)14/h3-6,8-9,15H,7H2,1-2H3
InChIKeyRDDOMPXZIREWPB-UHFFFAOYSA-N
MW311.25 g/mol
LogP3.72
Rot. Bonds4

About 1-[2-(2-bromophenyl)-1,3-thiazol-5-yl]-N-methylpropan-2-amine

1-[2-(2-bromophenyl)-1,3-thiazol-5-yl]-N-methylpropan-2-amine (PubChem CID 115091875) has the molecular formula C13H15BrN2S and a molecular weight of 311.25 g/mol. Its IUPAC name is 1-[2-(2-bromophenyl)-1,3-thiazol-5-yl]-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-[2-(2-bromophenyl)-1,3-thiazol-5-yl]-N-methylpropan-2-amine
PubChem CID115091875
Molecular FormulaC13H15BrN2S
Molecular Weight311.25 g/mol
Exact Mass310.01
IUPAC Name1-[2-(2-bromophenyl)-1,3-thiazol-5-yl]-N-methylpropan-2-amine
SMILESCNC(C)Cc1cnc(-c2ccccc2Br)s1
InChIInChI=1S/C13H15BrN2S/c1-9(15-2)7-10-8-16-13(17-10)11-5-3-4-6-12(11)14/h3-6,8-9,15H,7H2,1-2H3
InChIKeyRDDOMPXZIREWPB-UHFFFAOYSA-N
XLogP3.72
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.25
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(5-bromothiophen-2-yl)-1,3-thiazol-5-yl]-N-methylpropan-2-amine
CID 115091295
N-[[2-(2-bromophenyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 54979700
2-[2-(2-bromophenyl)-1,3-thiazol-5-yl]ethanamine
CID 82307426
1-[2-(2-bromophenyl)-1,3-thiazol-5-yl]ethanamine
CID 62653548
1-[2-(2-methylphenyl)-1,3-thiazol-5-yl]propan-2-ol
CID 115091825
1-[2-[2-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propan-2-amine
CID 115091866
1-(5-bromothiophen-2-yl)-N-methylpropan-2-amine
CID 62602112
1-[5-[2-[5-(2-bromophenyl)-1,3-oxazol-2-yl]ethyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride
CID 120867011
N-[[2-(2-chlorophenyl)-1,3-thiazol-5-yl]methyl]butan-2-amine
CID 82422506
N-[[2-(2-bromo-5-chlorophenyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 66158910
1-[2-(2-fluorophenyl)-1,3-oxazol-5-yl]-N-methylpropan-2-amine
CID 115087282
1-[2-(4-bromophenyl)-1,3-thiazol-5-yl]propan-2-amine
CID 115091945

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-bromophenyl)-1,3-thiazol-5-yl]-N-methylpropan-2-amine?
The IUPAC name of 1-[2-(2-bromophenyl)-1,3-thiazol-5-yl]-N-methylpropan-2-amine (CID 115091875) is 1-[2-(2-bromophenyl)-1,3-thiazol-5-yl]-N-methylpropan-2-amine.
What is the SMILES notation for 1-[2-(2-bromophenyl)-1,3-thiazol-5-yl]-N-methylpropan-2-amine?
The canonical SMILES for 1-[2-(2-bromophenyl)-1,3-thiazol-5-yl]-N-methylpropan-2-amine is CNC(C)Cc1cnc(-c2ccccc2Br)s1.
What is the InChIKey of 1-[2-(2-bromophenyl)-1,3-thiazol-5-yl]-N-methylpropan-2-amine?
The InChIKey is RDDOMPXZIREWPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2S/c1-9(15-2)7-10-8-16-13(17-10)11-5-3-4-6-12(11)14/h3-6,8-9,15H,7H2,1-2H3.
What are the key properties of 1-[2-(2-bromophenyl)-1,3-thiazol-5-yl]-N-methylpropan-2-amine?
1-[2-(2-bromophenyl)-1,3-thiazol-5-yl]-N-methylpropan-2-amine has a molecular weight of 311.25 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-bromophenyl)-1,3-thiazol-5-yl]-N-methylpropan-2-amine is sourced from PubChem (CID 115091875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).