3-[(6-chloro-3-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]propanoic acid

C10H12ClN3O2S — CID 82364475

IUPAC3-[(6-chloro-3-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]propanoic acid
SMILESCc1csc2nc(Cl)c(CNCCC(=O)O)n12
InChIInChI=1S/C10H12ClN3O2S/c1-6-5-17-10-13-9(11)7(14(6)10)4-12-3-2-8(15)16/h5,12H,2-4H2,1H3,(H,15,16)
InChIKeyXYKYACPHJKFPIO-UHFFFAOYSA-N
MW273.75 g/mol
LogP1.92
Rot. Bonds5

About 3-[(6-chloro-3-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]propanoic acid

3-[(6-chloro-3-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]propanoic acid (PubChem CID 82364475) has the molecular formula C10H12ClN3O2S and a molecular weight of 273.75 g/mol. Its IUPAC name is 3-[(6-chloro-3-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]propanoic acid.

Molecular Properties

Compound Name3-[(6-chloro-3-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]propanoic acid
PubChem CID82364475
Molecular FormulaC10H12ClN3O2S
Molecular Weight273.75 g/mol
Exact Mass273.03
IUPAC Name3-[(6-chloro-3-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]propanoic acid
SMILESCc1csc2nc(Cl)c(CNCCC(=O)O)n12
InChIInChI=1S/C10H12ClN3O2S/c1-6-5-17-10-13-9(11)7(14(6)10)4-12-3-2-8(15)16/h5,12H,2-4H2,1H3,(H,15,16)
InChIKeyXYKYACPHJKFPIO-UHFFFAOYSA-N
XLogP1.92
TPSA66.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.75
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(6-chloro-3-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N',N'-dimethylpropane-1,3-diamine
CID 82364469
2-[[2-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]acetyl]amino]acetic acid
CID 82364436
N-[2-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]ethyl]acetamide
CID 43770345
N-[(6-chloro-3-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(oxolan-2-yl)methanamine
CID 82364464
N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]hexan-1-amine
CID 43769657
2-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-N-propylacetamide
CID 43777779
1-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-2-methylpropan-2-ol
CID 65103083
2-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-N,N-dimethylacetamide
CID 43775364
N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-phenylsulfanylethanamine
CID 60976809
3-[1-(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)propan-2-yl-methylamino]propanoic acid
CID 84751624
2-cyclopentyl-N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine
CID 54932056
1-cyclopropyl-N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]methanamine
CID 43756750

Frequently Asked Questions

What is the IUPAC name of 3-[(6-chloro-3-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]propanoic acid?
The IUPAC name of 3-[(6-chloro-3-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]propanoic acid (CID 82364475) is 3-[(6-chloro-3-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]propanoic acid.
What is the SMILES notation for 3-[(6-chloro-3-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]propanoic acid?
The canonical SMILES for 3-[(6-chloro-3-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]propanoic acid is Cc1csc2nc(Cl)c(CNCCC(=O)O)n12.
What is the InChIKey of 3-[(6-chloro-3-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]propanoic acid?
The InChIKey is XYKYACPHJKFPIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3O2S/c1-6-5-17-10-13-9(11)7(14(6)10)4-12-3-2-8(15)16/h5,12H,2-4H2,1H3,(H,15,16).
What are the key properties of 3-[(6-chloro-3-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]propanoic acid?
3-[(6-chloro-3-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]propanoic acid has a molecular weight of 273.75 g/mol, XLogP of 1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-chloro-3-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]propanoic acid is sourced from PubChem (CID 82364475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).