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

C9H15BrN2S — CID 79398664

IUPAC4-bromo-N-hexyl-1,3-thiazol-2-amine
SMILESCCCCCCNc1nc(Br)cs1
InChIInChI=1S/C9H15BrN2S/c1-2-3-4-5-6-11-9-12-8(10)7-13-9/h7H,2-6H2,1H3,(H,11,12)
InChIKeyFGFPFQXWSSTKPY-UHFFFAOYSA-N
MW263.20 g/mol
LogP3.90
Rot. Bonds6

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

4-bromo-N-hexyl-1,3-thiazol-2-amine (PubChem CID 79398664) has the molecular formula C9H15BrN2S and a molecular weight of 263.20 g/mol. Its IUPAC name is 4-bromo-N-hexyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-bromo-N-hexyl-1,3-thiazol-2-amine
PubChem CID79398664
Molecular FormulaC9H15BrN2S
Molecular Weight263.20 g/mol
Exact Mass262.01
IUPAC Name4-bromo-N-hexyl-1,3-thiazol-2-amine
SMILESCCCCCCNc1nc(Br)cs1
InChIInChI=1S/C9H15BrN2S/c1-2-3-4-5-6-11-9-12-8(10)7-13-9/h7H,2-6H2,1H3,(H,11,12)
InChIKeyFGFPFQXWSSTKPY-UHFFFAOYSA-N
XLogP3.90
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.20
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-hexyl-1,3-thiazol-2-amine?
The IUPAC name of 4-bromo-N-hexyl-1,3-thiazol-2-amine (CID 79398664) is 4-bromo-N-hexyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-bromo-N-hexyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-bromo-N-hexyl-1,3-thiazol-2-amine is CCCCCCNc1nc(Br)cs1.
What is the InChIKey of 4-bromo-N-hexyl-1,3-thiazol-2-amine?
The InChIKey is FGFPFQXWSSTKPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15BrN2S/c1-2-3-4-5-6-11-9-12-8(10)7-13-9/h7H,2-6H2,1H3,(H,11,12).
What are the key properties of 4-bromo-N-hexyl-1,3-thiazol-2-amine?
4-bromo-N-hexyl-1,3-thiazol-2-amine has a molecular weight of 263.20 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-hexyl-1,3-thiazol-2-amine is sourced from PubChem (CID 79398664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).