5-bromo-N-(2,2-dimethylpropyl)-1,3-thiazol-2-amine

C8H13BrN2S — CID 20785903

IUPAC5-bromo-N-(2,2-dimethylpropyl)-1,3-thiazol-2-amine
SMILESCC(C)(C)CNc1ncc(Br)s1
InChIInChI=1S/C8H13BrN2S/c1-8(2,3)5-11-7-10-4-6(9)12-7/h4H,5H2,1-3H3,(H,10,11)
InChIKeyTVWIUSTXYBRVDJ-UHFFFAOYSA-N
MW249.18 g/mol
LogP3.36
Rot. Bonds2

About 5-bromo-N-(2,2-dimethylpropyl)-1,3-thiazol-2-amine

5-bromo-N-(2,2-dimethylpropyl)-1,3-thiazol-2-amine (PubChem CID 20785903) has the molecular formula C8H13BrN2S and a molecular weight of 249.18 g/mol. Its IUPAC name is 5-bromo-N-(2,2-dimethylpropyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-bromo-N-(2,2-dimethylpropyl)-1,3-thiazol-2-amine
PubChem CID20785903
Molecular FormulaC8H13BrN2S
Molecular Weight249.18 g/mol
Exact Mass248.00
IUPAC Name5-bromo-N-(2,2-dimethylpropyl)-1,3-thiazol-2-amine
SMILESCC(C)(C)CNc1ncc(Br)s1
InChIInChI=1S/C8H13BrN2S/c1-8(2,3)5-11-7-10-4-6(9)12-7/h4H,5H2,1-3H3,(H,10,11)
InChIKeyTVWIUSTXYBRVDJ-UHFFFAOYSA-N
XLogP3.36
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.18
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2,2-dimethylpropyl)-1,3-thiazol-2-amine?
The IUPAC name of 5-bromo-N-(2,2-dimethylpropyl)-1,3-thiazol-2-amine (CID 20785903) is 5-bromo-N-(2,2-dimethylpropyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-bromo-N-(2,2-dimethylpropyl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-bromo-N-(2,2-dimethylpropyl)-1,3-thiazol-2-amine is CC(C)(C)CNc1ncc(Br)s1.
What is the InChIKey of 5-bromo-N-(2,2-dimethylpropyl)-1,3-thiazol-2-amine?
The InChIKey is TVWIUSTXYBRVDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13BrN2S/c1-8(2,3)5-11-7-10-4-6(9)12-7/h4H,5H2,1-3H3,(H,10,11).
What are the key properties of 5-bromo-N-(2,2-dimethylpropyl)-1,3-thiazol-2-amine?
5-bromo-N-(2,2-dimethylpropyl)-1,3-thiazol-2-amine has a molecular weight of 249.18 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2,2-dimethylpropyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 20785903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).