6-bromo-N-(1,3-thiazol-2-ylmethyl)hexan-1-amine

C10H17BrN2S — CID 107844633

IUPAC6-bromo-N-(1,3-thiazol-2-ylmethyl)hexan-1-amine
SMILESBrCCCCCCNCc1nccs1
InChIInChI=1S/C10H17BrN2S/c11-5-3-1-2-4-6-12-9-10-13-7-8-14-10/h7-8,12H,1-6,9H2
InChIKeyPDUMXBDCSITVCC-UHFFFAOYSA-N
MW277.23 g/mol
LogP3.19
Rot. Bonds8

About 6-bromo-N-(1,3-thiazol-2-ylmethyl)hexan-1-amine

6-bromo-N-(1,3-thiazol-2-ylmethyl)hexan-1-amine (PubChem CID 107844633) has the molecular formula C10H17BrN2S and a molecular weight of 277.23 g/mol. Its IUPAC name is 6-bromo-N-(1,3-thiazol-2-ylmethyl)hexan-1-amine.

Molecular Properties

Compound Name6-bromo-N-(1,3-thiazol-2-ylmethyl)hexan-1-amine
PubChem CID107844633
Molecular FormulaC10H17BrN2S
Molecular Weight277.23 g/mol
Exact Mass276.03
IUPAC Name6-bromo-N-(1,3-thiazol-2-ylmethyl)hexan-1-amine
SMILESBrCCCCCCNCc1nccs1
InChIInChI=1S/C10H17BrN2S/c11-5-3-1-2-4-6-12-9-10-13-7-8-14-10/h7-8,12H,1-6,9H2
InChIKeyPDUMXBDCSITVCC-UHFFFAOYSA-N
XLogP3.19
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.23
LogP ≤ 53.19
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

5-bromo-N-(1,3-thiazol-2-ylmethyl)pentan-1-amine
CID 107320464
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 6-bromo-N-(1,3-thiazol-2-ylmethyl)hexan-1-amine?
The IUPAC name of 6-bromo-N-(1,3-thiazol-2-ylmethyl)hexan-1-amine (CID 107844633) is 6-bromo-N-(1,3-thiazol-2-ylmethyl)hexan-1-amine.
What is the SMILES notation for 6-bromo-N-(1,3-thiazol-2-ylmethyl)hexan-1-amine?
The canonical SMILES for 6-bromo-N-(1,3-thiazol-2-ylmethyl)hexan-1-amine is BrCCCCCCNCc1nccs1.
What is the InChIKey of 6-bromo-N-(1,3-thiazol-2-ylmethyl)hexan-1-amine?
The InChIKey is PDUMXBDCSITVCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17BrN2S/c11-5-3-1-2-4-6-12-9-10-13-7-8-14-10/h7-8,12H,1-6,9H2.
What are the key properties of 6-bromo-N-(1,3-thiazol-2-ylmethyl)hexan-1-amine?
6-bromo-N-(1,3-thiazol-2-ylmethyl)hexan-1-amine has a molecular weight of 277.23 g/mol, XLogP of 3.19, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(1,3-thiazol-2-ylmethyl)hexan-1-amine is sourced from PubChem (CID 107844633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).