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

C9H15BrN2S — CID 83693661

IUPAC1-[4-bromo-5-(2-methylpropyl)-1,3-thiazol-2-yl]ethanamine
SMILESCC(C)Cc1sc(C(C)N)nc1Br
InChIInChI=1S/C9H15BrN2S/c1-5(2)4-7-8(10)12-9(13-7)6(3)11/h5-6H,4,11H2,1-3H3
InChIKeyYGKGLALLJIDNMU-UHFFFAOYSA-N
MW263.20 g/mol
LogP3.12
Rot. Bonds3

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

1-[4-bromo-5-(2-methylpropyl)-1,3-thiazol-2-yl]ethanamine (PubChem CID 83693661) has the molecular formula C9H15BrN2S and a molecular weight of 263.20 g/mol. Its IUPAC name is 1-[4-bromo-5-(2-methylpropyl)-1,3-thiazol-2-yl]ethanamine.

Molecular Properties

Compound Name1-[4-bromo-5-(2-methylpropyl)-1,3-thiazol-2-yl]ethanamine
PubChem CID83693661
Molecular FormulaC9H15BrN2S
Molecular Weight263.20 g/mol
Exact Mass262.01
IUPAC Name1-[4-bromo-5-(2-methylpropyl)-1,3-thiazol-2-yl]ethanamine
SMILESCC(C)Cc1sc(C(C)N)nc1Br
InChIInChI=1S/C9H15BrN2S/c1-5(2)4-7-8(10)12-9(13-7)6(3)11/h5-6H,4,11H2,1-3H3
InChIKeyYGKGLALLJIDNMU-UHFFFAOYSA-N
XLogP3.12
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.20
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-bromo-5-(methoxymethyl)-1,3-thiazol-2-yl]ethanamine
CID 83693258
1-(4-bromo-5-tert-butyl-1,3-thiazol-2-yl)ethanamine
CID 83693671
(1S)-1-(5-ethyl-4-methyl-1,3-thiazol-2-yl)ethanamine
CID 82668357
1-(2,4-dibromo-1,3-thiazol-5-yl)ethanamine
CID 130090847
2-[4-bromo-2-(2-methylpropyl)-1,3-thiazol-5-yl]ethanamine
CID 83825855
4-(4-bromophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-amine
CID 166023438
(1S)-1-(4-bromo-6-methyl-1,3-benzothiazol-2-yl)ethanamine
CID 82379127
1-(4-bromo-6-methyl-1,3-benzothiazol-2-yl)ethanamine
CID 84641537
4,5-dibromo-2-propan-2-yl-1,3-thiazole
CID 66521424
[5-[2-bromo-5-(2-methylpropyl)-1,3-thiazol-4-yl]furan-2-yl]phosphonic acid
CID 50993363
2-chloro-4-methyl-5-(2-methylpropyl)-1,3-thiazole
CID 130516681
(1R)-1-(4-ethyl-1,3-thiazol-2-yl)ethanamine
CID 42077975

Frequently Asked Questions

What is the IUPAC name of 1-[4-bromo-5-(2-methylpropyl)-1,3-thiazol-2-yl]ethanamine?
The IUPAC name of 1-[4-bromo-5-(2-methylpropyl)-1,3-thiazol-2-yl]ethanamine (CID 83693661) is 1-[4-bromo-5-(2-methylpropyl)-1,3-thiazol-2-yl]ethanamine.
What is the SMILES notation for 1-[4-bromo-5-(2-methylpropyl)-1,3-thiazol-2-yl]ethanamine?
The canonical SMILES for 1-[4-bromo-5-(2-methylpropyl)-1,3-thiazol-2-yl]ethanamine is CC(C)Cc1sc(C(C)N)nc1Br.
What is the InChIKey of 1-[4-bromo-5-(2-methylpropyl)-1,3-thiazol-2-yl]ethanamine?
The InChIKey is YGKGLALLJIDNMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15BrN2S/c1-5(2)4-7-8(10)12-9(13-7)6(3)11/h5-6H,4,11H2,1-3H3.
What are the key properties of 1-[4-bromo-5-(2-methylpropyl)-1,3-thiazol-2-yl]ethanamine?
1-[4-bromo-5-(2-methylpropyl)-1,3-thiazol-2-yl]ethanamine has a molecular weight of 263.20 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-bromo-5-(2-methylpropyl)-1,3-thiazol-2-yl]ethanamine is sourced from PubChem (CID 83693661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).