1-(4-bromo-5-tert-butyl-1,3-thiazol-2-yl)ethanamine

C9H15BrN2S — CID 83693671

IUPAC1-(4-bromo-5-tert-butyl-1,3-thiazol-2-yl)ethanamine
SMILESCC(N)c1nc(Br)c(C(C)(C)C)s1
InChIInChI=1S/C9H15BrN2S/c1-5(11)8-12-7(10)6(13-8)9(2,3)4/h5H,11H2,1-4H3
InChIKeyJTWZSQCYELBYJG-UHFFFAOYSA-N
MW263.20 g/mol
LogP3.22
Rot. Bonds1

About 1-(4-bromo-5-tert-butyl-1,3-thiazol-2-yl)ethanamine

1-(4-bromo-5-tert-butyl-1,3-thiazol-2-yl)ethanamine (PubChem CID 83693671) has the molecular formula C9H15BrN2S and a molecular weight of 263.20 g/mol. Its IUPAC name is 1-(4-bromo-5-tert-butyl-1,3-thiazol-2-yl)ethanamine.

Molecular Properties

Compound Name1-(4-bromo-5-tert-butyl-1,3-thiazol-2-yl)ethanamine
PubChem CID83693671
Molecular FormulaC9H15BrN2S
Molecular Weight263.20 g/mol
Exact Mass262.01
IUPAC Name1-(4-bromo-5-tert-butyl-1,3-thiazol-2-yl)ethanamine
SMILESCC(N)c1nc(Br)c(C(C)(C)C)s1
InChIInChI=1S/C9H15BrN2S/c1-5(11)8-12-7(10)6(13-8)9(2,3)4/h5H,11H2,1-4H3
InChIKeyJTWZSQCYELBYJG-UHFFFAOYSA-N
XLogP3.22
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.20
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-bromo-5-(2-methylpropyl)-1,3-thiazol-2-yl]ethanamine
CID 83693661
1-[4-bromo-5-(methoxymethyl)-1,3-thiazol-2-yl]ethanamine
CID 83693258
5-tert-butyl-2-propan-2-yl-1,3-thiazol-4-amine
CID 163663942
1-(2,4-dibromo-1,3-thiazol-5-yl)ethanamine
CID 130090847
(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
1-(5-tert-butyl-1,3-thiazol-2-yl)ethanamine
CID 83846933
1-([1,3]thiazolo[4,5-b]pyrazin-2-yl)ethanamine
CID 106678219
4,5-dibromo-2-propan-2-yl-1,3-thiazole
CID 66521424
(1R)-1-(4-ethyl-1,3-thiazol-2-yl)ethanamine
CID 42077975
(1S)-1-(5-ethyl-4-methyl-1,3-thiazol-2-yl)ethanamine
CID 82668357
(1S)-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)ethanamine
CID 82409431

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-5-tert-butyl-1,3-thiazol-2-yl)ethanamine?
The IUPAC name of 1-(4-bromo-5-tert-butyl-1,3-thiazol-2-yl)ethanamine (CID 83693671) is 1-(4-bromo-5-tert-butyl-1,3-thiazol-2-yl)ethanamine.
What is the SMILES notation for 1-(4-bromo-5-tert-butyl-1,3-thiazol-2-yl)ethanamine?
The canonical SMILES for 1-(4-bromo-5-tert-butyl-1,3-thiazol-2-yl)ethanamine is CC(N)c1nc(Br)c(C(C)(C)C)s1.
What is the InChIKey of 1-(4-bromo-5-tert-butyl-1,3-thiazol-2-yl)ethanamine?
The InChIKey is JTWZSQCYELBYJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15BrN2S/c1-5(11)8-12-7(10)6(13-8)9(2,3)4/h5H,11H2,1-4H3.
What are the key properties of 1-(4-bromo-5-tert-butyl-1,3-thiazol-2-yl)ethanamine?
1-(4-bromo-5-tert-butyl-1,3-thiazol-2-yl)ethanamine has a molecular weight of 263.20 g/mol, XLogP of 3.22, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-5-tert-butyl-1,3-thiazol-2-yl)ethanamine is sourced from PubChem (CID 83693671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).