5-bromo-N-pentan-3-yl-1,3-thiazol-2-amine

C8H13BrN2S — CID 79026516

IUPAC5-bromo-N-pentan-3-yl-1,3-thiazol-2-amine
SMILESCCC(CC)Nc1ncc(Br)s1
InChIInChI=1S/C8H13BrN2S/c1-3-6(4-2)11-8-10-5-7(9)12-8/h5-6H,3-4H2,1-2H3,(H,10,11)
InChIKeyKDJOTWHZLCHNLQ-UHFFFAOYSA-N
MW249.18 g/mol
LogP3.51
Rot. Bonds4

About 5-bromo-N-pentan-3-yl-1,3-thiazol-2-amine

5-bromo-N-pentan-3-yl-1,3-thiazol-2-amine (PubChem CID 79026516) has the molecular formula C8H13BrN2S and a molecular weight of 249.18 g/mol. Its IUPAC name is 5-bromo-N-pentan-3-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-bromo-N-pentan-3-yl-1,3-thiazol-2-amine
PubChem CID79026516
Molecular FormulaC8H13BrN2S
Molecular Weight249.18 g/mol
Exact Mass248.00
IUPAC Name5-bromo-N-pentan-3-yl-1,3-thiazol-2-amine
SMILESCCC(CC)Nc1ncc(Br)s1
InChIInChI=1S/C8H13BrN2S/c1-3-6(4-2)11-8-10-5-7(9)12-8/h5-6H,3-4H2,1-2H3,(H,10,11)
InChIKeyKDJOTWHZLCHNLQ-UHFFFAOYSA-N
XLogP3.51
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.18
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-pentan-3-yl-1,3-thiazol-2-amine?
The IUPAC name of 5-bromo-N-pentan-3-yl-1,3-thiazol-2-amine (CID 79026516) is 5-bromo-N-pentan-3-yl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-bromo-N-pentan-3-yl-1,3-thiazol-2-amine?
The canonical SMILES for 5-bromo-N-pentan-3-yl-1,3-thiazol-2-amine is CCC(CC)Nc1ncc(Br)s1.
What is the InChIKey of 5-bromo-N-pentan-3-yl-1,3-thiazol-2-amine?
The InChIKey is KDJOTWHZLCHNLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13BrN2S/c1-3-6(4-2)11-8-10-5-7(9)12-8/h5-6H,3-4H2,1-2H3,(H,10,11).
What are the key properties of 5-bromo-N-pentan-3-yl-1,3-thiazol-2-amine?
5-bromo-N-pentan-3-yl-1,3-thiazol-2-amine has a molecular weight of 249.18 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-pentan-3-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 79026516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).