2-[5-bromo-2-[4-(2-methylpropyl)phenyl]-1,3-thiazol-4-yl]ethanamine

C15H19BrN2S — CID 116868361

IUPAC2-[5-bromo-2-[4-(2-methylpropyl)phenyl]-1,3-thiazol-4-yl]ethanamine
SMILESCC(C)Cc1ccc(-c2nc(CCN)c(Br)s2)cc1
InChIInChI=1S/C15H19BrN2S/c1-10(2)9-11-3-5-12(6-4-11)15-18-13(7-8-17)14(16)19-15/h3-6,10H,7-9,17H2,1-2H3
InChIKeyXHOMOZSBAASTOU-UHFFFAOYSA-N
MW339.30 g/mol
LogP4.27
Rot. Bonds5

About 2-[5-bromo-2-[4-(2-methylpropyl)phenyl]-1,3-thiazol-4-yl]ethanamine

2-[5-bromo-2-[4-(2-methylpropyl)phenyl]-1,3-thiazol-4-yl]ethanamine (PubChem CID 116868361) has the molecular formula C15H19BrN2S and a molecular weight of 339.30 g/mol. Its IUPAC name is 2-[5-bromo-2-[4-(2-methylpropyl)phenyl]-1,3-thiazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[5-bromo-2-[4-(2-methylpropyl)phenyl]-1,3-thiazol-4-yl]ethanamine
PubChem CID116868361
Molecular FormulaC15H19BrN2S
Molecular Weight339.30 g/mol
Exact Mass338.05
IUPAC Name2-[5-bromo-2-[4-(2-methylpropyl)phenyl]-1,3-thiazol-4-yl]ethanamine
SMILESCC(C)Cc1ccc(-c2nc(CCN)c(Br)s2)cc1
InChIInChI=1S/C15H19BrN2S/c1-10(2)9-11-3-5-12(6-4-11)15-18-13(7-8-17)14(16)19-15/h3-6,10H,7-9,17H2,1-2H3
InChIKeyXHOMOZSBAASTOU-UHFFFAOYSA-N
XLogP4.27
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.30
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-bromo-2-(3,4-difluorophenyl)-1,3-thiazol-4-yl]ethanamine
CID 116868367
2-[5-bromo-2-(4-methoxy-3-methylphenyl)-1,3-thiazol-4-yl]ethanamine
CID 84608173
2-[5-bromo-2-(2,4,6-trimethylphenyl)-1,3-thiazol-4-yl]ethanamine
CID 84606530
[5-bromo-2-(4-butan-2-ylphenyl)-1,3-thiazol-4-yl]methanamine
CID 116868255
4,5-dimethyl-2-[4-(2-methylpropyl)phenyl]-1,3-thiazole
CID 116887615
[4-bromo-5-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]methanamine
CID 84606541
2-[4-(aminomethyl)phenyl]-4-(2-methylpropyl)-1,3-thiazole-5-carboxylic acid
CID 114358886
4-[5-(aminomethyl)-4-(2-methylpropyl)-1,3-thiazol-2-yl]phenol
CID 136889282
2-[4-[4-(2-methylpropyl)phenyl]-1H-imidazol-5-yl]ethanamine
CID 95456243
2-[5-[4-(2-methylpropyl)phenyl]-1,2-oxazol-4-yl]ethanamine
CID 95456693
4-methyl-2-[4-(2-methylpropyl)phenyl]-1,3-thiazole-5-carboxylic acid
CID 79018828
[4-bromo-1-methyl-5-[4-(2-methylpropyl)phenyl]imidazol-2-yl]methanamine
CID 84605016

Frequently Asked Questions

What is the IUPAC name of 2-[5-bromo-2-[4-(2-methylpropyl)phenyl]-1,3-thiazol-4-yl]ethanamine?
The IUPAC name of 2-[5-bromo-2-[4-(2-methylpropyl)phenyl]-1,3-thiazol-4-yl]ethanamine (CID 116868361) is 2-[5-bromo-2-[4-(2-methylpropyl)phenyl]-1,3-thiazol-4-yl]ethanamine.
What is the SMILES notation for 2-[5-bromo-2-[4-(2-methylpropyl)phenyl]-1,3-thiazol-4-yl]ethanamine?
The canonical SMILES for 2-[5-bromo-2-[4-(2-methylpropyl)phenyl]-1,3-thiazol-4-yl]ethanamine is CC(C)Cc1ccc(-c2nc(CCN)c(Br)s2)cc1.
What is the InChIKey of 2-[5-bromo-2-[4-(2-methylpropyl)phenyl]-1,3-thiazol-4-yl]ethanamine?
The InChIKey is XHOMOZSBAASTOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2S/c1-10(2)9-11-3-5-12(6-4-11)15-18-13(7-8-17)14(16)19-15/h3-6,10H,7-9,17H2,1-2H3.
What are the key properties of 2-[5-bromo-2-[4-(2-methylpropyl)phenyl]-1,3-thiazol-4-yl]ethanamine?
2-[5-bromo-2-[4-(2-methylpropyl)phenyl]-1,3-thiazol-4-yl]ethanamine has a molecular weight of 339.30 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-bromo-2-[4-(2-methylpropyl)phenyl]-1,3-thiazol-4-yl]ethanamine is sourced from PubChem (CID 116868361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).