N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide

C14H23IN4S — CID 120970102

IUPACN-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
SMILESCC(CNC1=NCCN1C)N1CCc2sccc2C1.I
InChIInChI=1S/C14H22N4S.HI/c1-11(9-16-14-15-5-7-17(14)2)18-6-3-13-12(10-18)4-8-19-13;/h4,8,11H,3,5-7,9-10H2,1-2H3,(H,15,16);1H
InChIKeyOPCXCGMMIYOYAP-UHFFFAOYSA-N
MW406.34 g/mol
LogP2.00
Rot. Bonds3

About N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide

N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide (PubChem CID 120970102) has the molecular formula C14H23IN4S and a molecular weight of 406.34 g/mol. Its IUPAC name is N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide.

Molecular Properties

Compound NameN-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
PubChem CID120970102
Molecular FormulaC14H23IN4S
Molecular Weight406.34 g/mol
Exact Mass406.07
IUPAC NameN-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
SMILESCC(CNC1=NCCN1C)N1CCc2sccc2C1.I
InChIInChI=1S/C14H22N4S.HI/c1-11(9-16-14-15-5-7-17(14)2)18-6-3-13-12(10-18)4-8-19-13;/h4,8,11H,3,5-7,9-10H2,1-2H3,(H,15,16);1H
InChIKeyOPCXCGMMIYOYAP-UHFFFAOYSA-N
XLogP2.00
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.34
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide 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

N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]cyclopropanamine
CID 62439644
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine
CID 133310478
methyl 6-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propylamino]-2-methylpyridine-3-carboxylate
CID 133418535
4-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propylamino]-2,6-dimethylpyridine-3-carbonitrile
CID 133396705
3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-propan-2-ylbutan-1-amine
CID 62438747
1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-2-methyl-3-propan-2-ylguanidine
CID 111126538
N-[(2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-2-methoxyacetamide
CID 94095217
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-4-(methylamino)butanamide
CID 119856324
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N,3-dimethylbutan-1-amine
CID 62439639
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-N'-methyl-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboximidamide;hydroiodide
CID 109433312
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-N',2,2-trimethylthiomorpholine-4-carboximidamide
CID 109487925
1-[(2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-3-(pyridin-3-ylmethyl)urea
CID 94027060

Frequently Asked Questions

What is the IUPAC name of N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide?
The IUPAC name of N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide (CID 120970102) is N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide.
What is the SMILES notation for N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide?
The canonical SMILES for N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide is CC(CNC1=NCCN1C)N1CCc2sccc2C1.I.
What is the InChIKey of N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide?
The InChIKey is OPCXCGMMIYOYAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4S.HI/c1-11(9-16-14-15-5-7-17(14)2)18-6-3-13-12(10-18)4-8-19-13;/h4,8,11H,3,5-7,9-10H2,1-2H3,(H,15,16);1H.
What are the key properties of N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide?
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide has a molecular weight of 406.34 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide is sourced from PubChem (CID 120970102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).