3-bromo-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)propan-1-amine

C9H12BrN3S — CID 115334551

IUPAC3-bromo-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)propan-1-amine
SMILESBrCCCNCc1cn2ccsc2n1
InChIInChI=1S/C9H12BrN3S/c10-2-1-3-11-6-8-7-13-4-5-14-9(13)12-8/h4-5,7,11H,1-3,6H2
InChIKeyXFOGHQUGVVVQOX-UHFFFAOYSA-N
MW274.19 g/mol
LogP2.27
Rot. Bonds5

About 3-bromo-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)propan-1-amine

3-bromo-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)propan-1-amine (PubChem CID 115334551) has the molecular formula C9H12BrN3S and a molecular weight of 274.19 g/mol. Its IUPAC name is 3-bromo-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name3-bromo-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)propan-1-amine
PubChem CID115334551
Molecular FormulaC9H12BrN3S
Molecular Weight274.19 g/mol
Exact Mass272.99
IUPAC Name3-bromo-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)propan-1-amine
SMILESBrCCCNCc1cn2ccsc2n1
InChIInChI=1S/C9H12BrN3S/c10-2-1-3-11-6-8-7-13-4-5-14-9(13)12-8/h4-5,7,11H,1-3,6H2
InChIKeyXFOGHQUGVVVQOX-UHFFFAOYSA-N
XLogP2.27
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.19
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-iodopropan-1-amine
CID 114503614
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-6-methylsulfanylhexan-1-amine
CID 114125625
5-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)-2-methylpentan-1-ol
CID 106160046
4-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)butan-2-ol
CID 115331674
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(2-methoxyethoxy)ethanamine
CID 115331583
N-cyclopropyl-4-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)butanamide
CID 115331723
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methylpropan-1-amine
CID 115331414
2,2-difluoro-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)ethanamine
CID 115406811
methyl 2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)acetate
CID 115331415
6-[3-bromo-2-(bromomethyl)propyl]imidazo[2,1-b][1,3]thiazole
CID 115335272
imidazo[2,1-b][1,3]thiazol-6-ylmethylazanium
CID 7062758
6-(chloromethyl)imidazo[2,1-b][1,3]thiazole
CID 18804066

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)propan-1-amine?
The IUPAC name of 3-bromo-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)propan-1-amine (CID 115334551) is 3-bromo-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)propan-1-amine.
What is the SMILES notation for 3-bromo-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)propan-1-amine?
The canonical SMILES for 3-bromo-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)propan-1-amine is BrCCCNCc1cn2ccsc2n1.
What is the InChIKey of 3-bromo-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)propan-1-amine?
The InChIKey is XFOGHQUGVVVQOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrN3S/c10-2-1-3-11-6-8-7-13-4-5-14-9(13)12-8/h4-5,7,11H,1-3,6H2.
What are the key properties of 3-bromo-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)propan-1-amine?
3-bromo-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)propan-1-amine has a molecular weight of 274.19 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)propan-1-amine is sourced from PubChem (CID 115334551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).