methyl 4-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]butanoate

C12H17N3O2S — CID 54920768

IUPACmethyl 4-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]butanoate
SMILESCOC(=O)CCCNCc1c(C)nc2sccn12
InChIInChI=1S/C12H17N3O2S/c1-9-10(15-6-7-18-12(15)14-9)8-13-5-3-4-11(16)17-2/h6-7,13H,3-5,8H2,1-2H3
InChIKeyXUORJRURTAZICF-UHFFFAOYSA-N
MW267.35 g/mol
LogP1.75
Rot. Bonds6

About methyl 4-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]butanoate

methyl 4-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]butanoate (PubChem CID 54920768) has the molecular formula C12H17N3O2S and a molecular weight of 267.35 g/mol. Its IUPAC name is methyl 4-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]butanoate.

Molecular Properties

Compound Namemethyl 4-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]butanoate
PubChem CID54920768
Molecular FormulaC12H17N3O2S
Molecular Weight267.35 g/mol
Exact Mass267.10
IUPAC Namemethyl 4-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]butanoate
SMILESCOC(=O)CCCNCc1c(C)nc2sccn12
InChIInChI=1S/C12H17N3O2S/c1-9-10(15-6-7-18-12(15)14-9)8-13-5-3-4-11(16)17-2/h6-7,13H,3-5,8H2,1-2H3
InChIKeyXUORJRURTAZICF-UHFFFAOYSA-N
XLogP1.75
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[3-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]propoxy]ethanol
CID 103992617
5,5,5-trifluoro-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]pentan-1-amine
CID 115491280
3-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]propanenitrile
CID 43771524
N',N'-diethyl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethane-1,2-diamine
CID 43761768
2-methyl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]prop-2-en-1-amine
CID 114615701
N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-pyrazol-1-ylethanamine
CID 61460056
2-methyl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-1-amine
CID 43756411
methyl 3-[5-[(2-methoxyethylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]sulfanylpropanoate
CID 63809605
N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-thiophen-2-ylethanamine
CID 43763585
3-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]propane-1,2-diol
CID 66178002
N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(oxan-4-yl)methanamine
CID 63221874
2-cyclohexyl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine
CID 54932062

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]butanoate?
The IUPAC name of methyl 4-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]butanoate (CID 54920768) is methyl 4-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]butanoate.
What is the SMILES notation for methyl 4-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]butanoate?
The canonical SMILES for methyl 4-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]butanoate is COC(=O)CCCNCc1c(C)nc2sccn12.
What is the InChIKey of methyl 4-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]butanoate?
The InChIKey is XUORJRURTAZICF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2S/c1-9-10(15-6-7-18-12(15)14-9)8-13-5-3-4-11(16)17-2/h6-7,13H,3-5,8H2,1-2H3.
What are the key properties of methyl 4-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]butanoate?
methyl 4-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]butanoate has a molecular weight of 267.35 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]butanoate is sourced from PubChem (CID 54920768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).