4-bromo-N-propyl-1,3-thiazol-2-amine

C6H9BrN2S — CID 79399844

IUPAC4-bromo-N-propyl-1,3-thiazol-2-amine
SMILESCCCNc1nc(Br)cs1
InChIInChI=1S/C6H9BrN2S/c1-2-3-8-6-9-5(7)4-10-6/h4H,2-3H2,1H3,(H,8,9)
InChIKeyHMBKHVYRFOIPAV-UHFFFAOYSA-N
MW221.12 g/mol
LogP2.73
Rot. Bonds3

About 4-bromo-N-propyl-1,3-thiazol-2-amine

4-bromo-N-propyl-1,3-thiazol-2-amine (PubChem CID 79399844) has the molecular formula C6H9BrN2S and a molecular weight of 221.12 g/mol. Its IUPAC name is 4-bromo-N-propyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-bromo-N-propyl-1,3-thiazol-2-amine
PubChem CID79399844
Molecular FormulaC6H9BrN2S
Molecular Weight221.12 g/mol
Exact Mass219.97
IUPAC Name4-bromo-N-propyl-1,3-thiazol-2-amine
SMILESCCCNc1nc(Br)cs1
InChIInChI=1S/C6H9BrN2S/c1-2-3-8-6-9-5(7)4-10-6/h4H,2-3H2,1H3,(H,8,9)
InChIKeyHMBKHVYRFOIPAV-UHFFFAOYSA-N
XLogP2.73
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.12
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-propyl-1,3-thiazol-2-amine?
The IUPAC name of 4-bromo-N-propyl-1,3-thiazol-2-amine (CID 79399844) is 4-bromo-N-propyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-bromo-N-propyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-bromo-N-propyl-1,3-thiazol-2-amine is CCCNc1nc(Br)cs1.
What is the InChIKey of 4-bromo-N-propyl-1,3-thiazol-2-amine?
The InChIKey is HMBKHVYRFOIPAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9BrN2S/c1-2-3-8-6-9-5(7)4-10-6/h4H,2-3H2,1H3,(H,8,9).
What are the key properties of 4-bromo-N-propyl-1,3-thiazol-2-amine?
4-bromo-N-propyl-1,3-thiazol-2-amine has a molecular weight of 221.12 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-propyl-1,3-thiazol-2-amine is sourced from PubChem (CID 79399844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).