5-bromo-4-tert-butyl-1,3-thiazol-2-amine

C7H11BrN2S — CID 729135

IUPAC5-bromo-4-tert-butyl-1,3-thiazol-2-amine
SMILESCC(C)(C)c1nc(N)sc1Br
InChIInChI=1S/C7H11BrN2S/c1-7(2,3)4-5(8)11-6(9)10-4/h1-3H3,(H2,9,10)
InChIKeyACKLPWWFGUPXSM-UHFFFAOYSA-N
MW235.15 g/mol
LogP2.79
Rot. Bonds

About 5-bromo-4-tert-butyl-1,3-thiazol-2-amine

5-bromo-4-tert-butyl-1,3-thiazol-2-amine (PubChem CID 729135) has the molecular formula C7H11BrN2S and a molecular weight of 235.15 g/mol. Its IUPAC name is 5-bromo-4-tert-butyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-bromo-4-tert-butyl-1,3-thiazol-2-amine
PubChem CID729135
Molecular FormulaC7H11BrN2S
Molecular Weight235.15 g/mol
Exact Mass233.98
IUPAC Name5-bromo-4-tert-butyl-1,3-thiazol-2-amine
SMILESCC(C)(C)c1nc(N)sc1Br
InChIInChI=1S/C7H11BrN2S/c1-7(2,3)4-5(8)11-6(9)10-4/h1-3H3,(H2,9,10)
InChIKeyACKLPWWFGUPXSM-UHFFFAOYSA-N
XLogP2.79
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.15
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-tert-butyl-1,3-thiazol-2-amine?
The IUPAC name of 5-bromo-4-tert-butyl-1,3-thiazol-2-amine (CID 729135) is 5-bromo-4-tert-butyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-bromo-4-tert-butyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-bromo-4-tert-butyl-1,3-thiazol-2-amine is CC(C)(C)c1nc(N)sc1Br.
What is the InChIKey of 5-bromo-4-tert-butyl-1,3-thiazol-2-amine?
The InChIKey is ACKLPWWFGUPXSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11BrN2S/c1-7(2,3)4-5(8)11-6(9)10-4/h1-3H3,(H2,9,10).
What are the key properties of 5-bromo-4-tert-butyl-1,3-thiazol-2-amine?
5-bromo-4-tert-butyl-1,3-thiazol-2-amine has a molecular weight of 235.15 g/mol, XLogP of 2.79, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-tert-butyl-1,3-thiazol-2-amine is sourced from PubChem (CID 729135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).