1-(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)-N-(2-methylpropoxy)methanamine

C11H17N3O2S — CID 82709719

IUPAC1-(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)-N-(2-methylpropoxy)methanamine
SMILESCOc1nc2sccn2c1CNOCC(C)C
InChIInChI=1S/C11H17N3O2S/c1-8(2)7-16-12-6-9-10(15-3)13-11-14(9)4-5-17-11/h4-5,8,12H,6-7H2,1-3H3
InChIKeyRBXXTDZPBVESHZ-UHFFFAOYSA-N
MW255.34 g/mol
LogP2.08
Rot. Bonds6

About 1-(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)-N-(2-methylpropoxy)methanamine

1-(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)-N-(2-methylpropoxy)methanamine (PubChem CID 82709719) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is 1-(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)-N-(2-methylpropoxy)methanamine.

Molecular Properties

Compound Name1-(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)-N-(2-methylpropoxy)methanamine
PubChem CID82709719
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC Name1-(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)-N-(2-methylpropoxy)methanamine
SMILESCOc1nc2sccn2c1CNOCC(C)C
InChIInChI=1S/C11H17N3O2S/c1-8(2)7-16-12-6-9-10(15-3)13-11-14(9)4-5-17-11/h4-5,8,12H,6-7H2,1-3H3
InChIKeyRBXXTDZPBVESHZ-UHFFFAOYSA-N
XLogP2.08
TPSA47.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 82946403
3-methoxy-2-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]propan-1-ol
CID 106187628
2-methoxy-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine
CID 43756272
N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]cyclooctanamine
CID 43760152
4-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-3-methylbutan-1-ol
CID 66090379
3-methoxy-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-1-amine
CID 43769566
N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3,5-dimethylcyclohexan-1-amine
CID 64734020
3-(2-methoxyethoxy)-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-1-amine
CID 43770890
1-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 43767778
(1R)-1-cyclohexyl-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine
CID 81385166
(1S)-1-(4-fluorophenyl)-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine
CID 81350416
2-[2-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]ethoxy]ethanol
CID 43771454

Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)-N-(2-methylpropoxy)methanamine?
The IUPAC name of 1-(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)-N-(2-methylpropoxy)methanamine (CID 82709719) is 1-(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)-N-(2-methylpropoxy)methanamine.
What is the SMILES notation for 1-(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)-N-(2-methylpropoxy)methanamine?
The canonical SMILES for 1-(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)-N-(2-methylpropoxy)methanamine is COc1nc2sccn2c1CNOCC(C)C.
What is the InChIKey of 1-(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)-N-(2-methylpropoxy)methanamine?
The InChIKey is RBXXTDZPBVESHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S/c1-8(2)7-16-12-6-9-10(15-3)13-11-14(9)4-5-17-11/h4-5,8,12H,6-7H2,1-3H3.
What are the key properties of 1-(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)-N-(2-methylpropoxy)methanamine?
1-(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)-N-(2-methylpropoxy)methanamine has a molecular weight of 255.34 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)-N-(2-methylpropoxy)methanamine is sourced from PubChem (CID 82709719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).