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

C13H17N5OS — CID 43773804

IUPAC3-imidazol-1-yl-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-1-amine
SMILESCOc1nc2sccn2c1CNCCCn1ccnc1
InChIInChI=1S/C13H17N5OS/c1-19-12-11(18-7-8-20-13(18)16-12)9-14-3-2-5-17-6-4-15-10-17/h4,6-8,10,14H,2-3,5,9H2,1H3
InChIKeyGJKLALQQMOMPII-UHFFFAOYSA-N
MW291.38 g/mol
LogP1.78
Rot. Bonds7

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

3-imidazol-1-yl-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-1-amine (PubChem CID 43773804) has the molecular formula C13H17N5OS and a molecular weight of 291.38 g/mol. Its IUPAC name is 3-imidazol-1-yl-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name3-imidazol-1-yl-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-1-amine
PubChem CID43773804
Molecular FormulaC13H17N5OS
Molecular Weight291.38 g/mol
Exact Mass291.12
IUPAC Name3-imidazol-1-yl-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-1-amine
SMILESCOc1nc2sccn2c1CNCCCn1ccnc1
InChIInChI=1S/C13H17N5OS/c1-19-12-11(18-7-8-20-13(18)16-12)9-14-3-2-5-17-6-4-15-10-17/h4,6-8,10,14H,2-3,5,9H2,1H3
InChIKeyGJKLALQQMOMPII-UHFFFAOYSA-N
XLogP1.78
TPSA56.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 3-imidazol-1-yl-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methoxy-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-1-amine
CID 43769566
2-methoxy-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine
CID 43756272
3,3,3-trifluoro-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-1-amine
CID 63226560
2-[2-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]ethoxy]ethanol
CID 43771454
N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-phenylethanamine
CID 43761861
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]-2-(2,2,2-trifluoroethoxy)ethanamine
CID 63826771
N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-thiophen-2-ylmethanamine
CID 43769303
N-(1H-imidazol-2-ylmethyl)-1-(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methanamine
CID 64547605
4-imidazol-1-yl-N-[(4-methoxyphenyl)methyl]butan-1-amine
CID 61069437
N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-imidazol-1-ylpropan-1-amine
CID 43773790
N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(2-methoxyphenyl)methanamine
CID 43758018

Frequently Asked Questions

What is the IUPAC name of 3-imidazol-1-yl-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-1-amine?
The IUPAC name of 3-imidazol-1-yl-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-1-amine (CID 43773804) is 3-imidazol-1-yl-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-1-amine.
What is the SMILES notation for 3-imidazol-1-yl-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-1-amine?
The canonical SMILES for 3-imidazol-1-yl-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-1-amine is COc1nc2sccn2c1CNCCCn1ccnc1.
What is the InChIKey of 3-imidazol-1-yl-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-1-amine?
The InChIKey is GJKLALQQMOMPII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5OS/c1-19-12-11(18-7-8-20-13(18)16-12)9-14-3-2-5-17-6-4-15-10-17/h4,6-8,10,14H,2-3,5,9H2,1H3.
What are the key properties of 3-imidazol-1-yl-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-1-amine?
3-imidazol-1-yl-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-1-amine has a molecular weight of 291.38 g/mol, XLogP of 1.78, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imidazol-1-yl-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-1-amine is sourced from PubChem (CID 43773804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).