[5-bromo-2-(2,4,5-trimethylphenyl)-1,3-thiazol-4-yl]methanamine

C13H15BrN2S — CID 116868274

IUPAC[5-bromo-2-(2,4,5-trimethylphenyl)-1,3-thiazol-4-yl]methanamine
SMILESCc1cc(C)c(-c2nc(CN)c(Br)s2)cc1C
InChIInChI=1S/C13H15BrN2S/c1-7-4-9(3)10(5-8(7)2)13-16-11(6-15)12(14)17-13/h4-5H,6,15H2,1-3H3
InChIKeyHXTCUBRFWCGHAH-UHFFFAOYSA-N
MW311.25 g/mol
LogP3.96
Rot. Bonds2

About [5-bromo-2-(2,4,5-trimethylphenyl)-1,3-thiazol-4-yl]methanamine

[5-bromo-2-(2,4,5-trimethylphenyl)-1,3-thiazol-4-yl]methanamine (PubChem CID 116868274) has the molecular formula C13H15BrN2S and a molecular weight of 311.25 g/mol. Its IUPAC name is [5-bromo-2-(2,4,5-trimethylphenyl)-1,3-thiazol-4-yl]methanamine.

Molecular Properties

Compound Name[5-bromo-2-(2,4,5-trimethylphenyl)-1,3-thiazol-4-yl]methanamine
PubChem CID116868274
Molecular FormulaC13H15BrN2S
Molecular Weight311.25 g/mol
Exact Mass310.01
IUPAC Name[5-bromo-2-(2,4,5-trimethylphenyl)-1,3-thiazol-4-yl]methanamine
SMILESCc1cc(C)c(-c2nc(CN)c(Br)s2)cc1C
InChIInChI=1S/C13H15BrN2S/c1-7-4-9(3)10(5-8(7)2)13-16-11(6-15)12(14)17-13/h4-5H,6,15H2,1-3H3
InChIKeyHXTCUBRFWCGHAH-UHFFFAOYSA-N
XLogP3.96
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.25
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-bromo-2-(2,5-difluorophenyl)-1,3-thiazol-4-yl]methanamine
CID 116868261
5-bromo-2-(4-methoxy-2,5-dimethylphenyl)-1,3-thiazol-4-amine
CID 116864302
2-[5-bromo-2-(2,4,6-trimethylphenyl)-1,3-thiazol-4-yl]ethanamine
CID 84606530
2-[5-bromo-2-(2,5-dimethylphenyl)-1,3-thiazol-4-yl]acetic acid
CID 84606694
[5-bromo-2-(4-butan-2-ylphenyl)-1,3-thiazol-4-yl]methanamine
CID 116868255
2-[5-bromo-2-(4-methoxy-3-methylphenyl)-1,3-thiazol-4-yl]ethanamine
CID 84608173
5-bromo-2-(2,4-dimethylphenyl)-1,3-thiazol-4-amine
CID 116864287
4-methyl-2-(2,4,5-trimethylphenyl)-1,3-thiazole
CID 116891909
1-[2-(2,4,5-trimethylphenyl)-1,3-thiazol-4-yl]propan-2-amine
CID 116888197
[2-(2,4,5-trimethylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]methanamine
CID 96668676
[2-(2-methylphenyl)-5-phenyl-1,3-thiazol-4-yl]methanamine
CID 64718144
[3-(2,4,5-trimethylphenyl)imidazo[2,1-b][1,3]thiazol-6-yl]methanamine
CID 96668174

Frequently Asked Questions

What is the IUPAC name of [5-bromo-2-(2,4,5-trimethylphenyl)-1,3-thiazol-4-yl]methanamine?
The IUPAC name of [5-bromo-2-(2,4,5-trimethylphenyl)-1,3-thiazol-4-yl]methanamine (CID 116868274) is [5-bromo-2-(2,4,5-trimethylphenyl)-1,3-thiazol-4-yl]methanamine.
What is the SMILES notation for [5-bromo-2-(2,4,5-trimethylphenyl)-1,3-thiazol-4-yl]methanamine?
The canonical SMILES for [5-bromo-2-(2,4,5-trimethylphenyl)-1,3-thiazol-4-yl]methanamine is Cc1cc(C)c(-c2nc(CN)c(Br)s2)cc1C.
What is the InChIKey of [5-bromo-2-(2,4,5-trimethylphenyl)-1,3-thiazol-4-yl]methanamine?
The InChIKey is HXTCUBRFWCGHAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2S/c1-7-4-9(3)10(5-8(7)2)13-16-11(6-15)12(14)17-13/h4-5H,6,15H2,1-3H3.
What are the key properties of [5-bromo-2-(2,4,5-trimethylphenyl)-1,3-thiazol-4-yl]methanamine?
[5-bromo-2-(2,4,5-trimethylphenyl)-1,3-thiazol-4-yl]methanamine has a molecular weight of 311.25 g/mol, XLogP of 3.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-2-(2,4,5-trimethylphenyl)-1,3-thiazol-4-yl]methanamine is sourced from PubChem (CID 116868274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).