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

C9H15BrN2S — CID 107320464

IUPAC5-bromo-N-(1,3-thiazol-2-ylmethyl)pentan-1-amine
SMILESBrCCCCCNCc1nccs1
InChIInChI=1S/C9H15BrN2S/c10-4-2-1-3-5-11-8-9-12-6-7-13-9/h6-7,11H,1-5,8H2
InChIKeyPBPUUAWNJHRWFB-UHFFFAOYSA-N
MW263.20 g/mol
LogP2.80
Rot. Bonds7

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

5-bromo-N-(1,3-thiazol-2-ylmethyl)pentan-1-amine (PubChem CID 107320464) has the molecular formula C9H15BrN2S and a molecular weight of 263.20 g/mol. Its IUPAC name is 5-bromo-N-(1,3-thiazol-2-ylmethyl)pentan-1-amine.

Molecular Properties

Compound Name5-bromo-N-(1,3-thiazol-2-ylmethyl)pentan-1-amine
PubChem CID107320464
Molecular FormulaC9H15BrN2S
Molecular Weight263.20 g/mol
Exact Mass262.01
IUPAC Name5-bromo-N-(1,3-thiazol-2-ylmethyl)pentan-1-amine
SMILESBrCCCCCNCc1nccs1
InChIInChI=1S/C9H15BrN2S/c10-4-2-1-3-5-11-8-9-12-6-7-13-9/h6-7,11H,1-5,8H2
InChIKeyPBPUUAWNJHRWFB-UHFFFAOYSA-N
XLogP2.80
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.20
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-bromo-N-(1,3-thiazol-2-ylmethyl)hexan-1-amine
CID 107844633
5-(1,3-thiazol-2-ylmethylamino)pentan-1-ol
CID 107302916
5-methylsulfanyl-N-(1,3-thiazol-2-ylmethyl)pentan-1-amine
CID 104923003
N-methyl-N'-(1,3-thiazol-2-ylmethyl)propane-1,3-diamine
CID 21021493
5-bromo-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pentan-1-amine
CID 107320377
4-bromo-N-[(4-methyl-1,3-thiazol-2-yl)methyl]butan-1-amine
CID 106844765
3-(2-methoxyethoxy)-N-(1,3-thiazol-2-ylmethyl)propan-1-amine
CID 62999936
2-methylsulfonyl-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 61283283
2-[2-(1,3-thiazol-2-ylmethylamino)ethoxy]ethanol
CID 61283861
2-(1,3-thiazol-2-ylmethylamino)ethylurea
CID 83110656
5-bromo-N-[2-(1,3-thiazol-2-yl)ethyl]pentanamide
CID 107910060
2-(2-methoxyethoxy)-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 63001390

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1,3-thiazol-2-ylmethyl)pentan-1-amine?
The IUPAC name of 5-bromo-N-(1,3-thiazol-2-ylmethyl)pentan-1-amine (CID 107320464) is 5-bromo-N-(1,3-thiazol-2-ylmethyl)pentan-1-amine.
What is the SMILES notation for 5-bromo-N-(1,3-thiazol-2-ylmethyl)pentan-1-amine?
The canonical SMILES for 5-bromo-N-(1,3-thiazol-2-ylmethyl)pentan-1-amine is BrCCCCCNCc1nccs1.
What is the InChIKey of 5-bromo-N-(1,3-thiazol-2-ylmethyl)pentan-1-amine?
The InChIKey is PBPUUAWNJHRWFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15BrN2S/c10-4-2-1-3-5-11-8-9-12-6-7-13-9/h6-7,11H,1-5,8H2.
What are the key properties of 5-bromo-N-(1,3-thiazol-2-ylmethyl)pentan-1-amine?
5-bromo-N-(1,3-thiazol-2-ylmethyl)pentan-1-amine has a molecular weight of 263.20 g/mol, XLogP of 2.80, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(1,3-thiazol-2-ylmethyl)pentan-1-amine is sourced from PubChem (CID 107320464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).