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

C11H16BrN3S — CID 115334525

IUPACN-(2-bromoethyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)propan-2-amine
SMILESCC(C)N(CCBr)Cc1cn2ccsc2n1
InChIInChI=1S/C11H16BrN3S/c1-9(2)14(4-3-12)7-10-8-15-5-6-16-11(15)13-10/h5-6,8-9H,3-4,7H2,1-2H3
InChIKeyKJWAWRXOLOHDAX-UHFFFAOYSA-N
MW302.24 g/mol
LogP3.00
Rot. Bonds5

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

N-(2-bromoethyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)propan-2-amine (PubChem CID 115334525) has the molecular formula C11H16BrN3S and a molecular weight of 302.24 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)propan-2-amine.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)propan-2-amine
PubChem CID115334525
Molecular FormulaC11H16BrN3S
Molecular Weight302.24 g/mol
Exact Mass301.02
IUPAC NameN-(2-bromoethyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)propan-2-amine
SMILESCC(C)N(CCBr)Cc1cn2ccsc2n1
InChIInChI=1S/C11H16BrN3S/c1-9(2)14(4-3-12)7-10-8-15-5-6-16-11(15)13-10/h5-6,8-9H,3-4,7H2,1-2H3
InChIKeyKJWAWRXOLOHDAX-UHFFFAOYSA-N
XLogP3.00
TPSA20.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.24
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[imidazo[2,1-b][1,3]thiazol-6-ylmethyl(propan-2-yl)amino]propan-1-ol
CID 113289297
methyl 2-[imidazo[2,1-b][1,3]thiazol-6-ylmethyl(propan-2-yl)amino]acetate
CID 78918735
6-(3-bromo-2-methylpropyl)imidazo[2,1-b][1,3]thiazole
CID 115335190
2-[imidazo[2,1-b][1,3]thiazol-6-ylmethyl(methyl)amino]propanoic acid
CID 115332453
6-[3-bromo-2-(bromomethyl)propyl]imidazo[2,1-b][1,3]thiazole
CID 115335272
3-[imidazo[2,1-b][1,3]thiazol-6-ylmethyl(methyl)amino]-2-methylpropanoic acid
CID 115332443
2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-propan-2-ylpropane-1,3-diol
CID 115335237
1-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfinyl)propan-2-amine
CID 115335464
2-[imidazo[2,1-b][1,3]thiazol-6-ylmethyl(propyl)amino]ethanethioamide
CID 115331844
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methylpropan-1-amine
CID 115331414
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-methylbutan-2-amine
CID 81334513
imidazo[2,1-b][1,3]thiazol-6-ylmethylazanium
CID 7062758

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)propan-2-amine?
The IUPAC name of N-(2-bromoethyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)propan-2-amine (CID 115334525) is N-(2-bromoethyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)propan-2-amine.
What is the SMILES notation for N-(2-bromoethyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)propan-2-amine?
The canonical SMILES for N-(2-bromoethyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)propan-2-amine is CC(C)N(CCBr)Cc1cn2ccsc2n1.
What is the InChIKey of N-(2-bromoethyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)propan-2-amine?
The InChIKey is KJWAWRXOLOHDAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3S/c1-9(2)14(4-3-12)7-10-8-15-5-6-16-11(15)13-10/h5-6,8-9H,3-4,7H2,1-2H3.
What are the key properties of N-(2-bromoethyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)propan-2-amine?
N-(2-bromoethyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)propan-2-amine has a molecular weight of 302.24 g/mol, XLogP of 3.00, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)propan-2-amine is sourced from PubChem (CID 115334525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).