3-methoxy-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-1-amine

C11H17N3O2S — CID 43769566

IUPAC3-methoxy-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-1-amine
SMILESCOCCCNCc1c(OC)nc2sccn12
InChIInChI=1S/C11H17N3O2S/c1-15-6-3-4-12-8-9-10(16-2)13-11-14(9)5-7-17-11/h5,7,12H,3-4,6,8H2,1-2H3
InChIKeyCDTHGFQYLFQZGF-UHFFFAOYSA-N
MW255.34 g/mol
LogP1.53
Rot. Bonds7

About 3-methoxy-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-1-amine

3-methoxy-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-1-amine (PubChem CID 43769566) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is 3-methoxy-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name3-methoxy-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-1-amine
PubChem CID43769566
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC Name3-methoxy-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-1-amine
SMILESCOCCCNCc1c(OC)nc2sccn12
InChIInChI=1S/C11H17N3O2S/c1-15-6-3-4-12-8-9-10(16-2)13-11-14(9)5-7-17-11/h5,7,12H,3-4,6,8H2,1-2H3
InChIKeyCDTHGFQYLFQZGF-UHFFFAOYSA-N
XLogP1.53
TPSA47.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 51.53
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

3-(2-methoxyethoxy)-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-1-amine
CID 43770890
2-methoxy-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine
CID 43756272
2-[2-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]ethoxy]ethanol
CID 43771454
3,3,3-trifluoro-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-1-amine
CID 63226560
N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
CID 63826771
N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-phenylethanamine
CID 43761861
3-imidazol-1-yl-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-1-amine
CID 43773804
N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 43769500
3-methoxy-2-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]propan-1-ol
CID 106187628
N-ethyl-2-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]ethanesulfonamide
CID 106334575
N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-morpholin-4-ylethanamine
CID 43764195
N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-thiophen-2-ylmethanamine
CID 43769303

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-1-amine?
The IUPAC name of 3-methoxy-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-1-amine (CID 43769566) is 3-methoxy-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-1-amine.
What is the SMILES notation for 3-methoxy-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-1-amine?
The canonical SMILES for 3-methoxy-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-1-amine is COCCCNCc1c(OC)nc2sccn12.
What is the InChIKey of 3-methoxy-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-1-amine?
The InChIKey is CDTHGFQYLFQZGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S/c1-15-6-3-4-12-8-9-10(16-2)13-11-14(9)5-7-17-11/h5,7,12H,3-4,6,8H2,1-2H3.
What are the key properties of 3-methoxy-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-1-amine?
3-methoxy-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-1-amine has a molecular weight of 255.34 g/mol, XLogP of 1.53, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-1-amine is sourced from PubChem (CID 43769566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).