3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butanimidamide

C11H17N3S — CID 60913679

IUPAC3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butanimidamide
SMILES[H]/N=C(\N)CC(C)N1CCc2sccc2C1
InChIInChI=1S/C11H17N3S/c1-8(6-11(12)13)14-4-2-10-9(7-14)3-5-15-10/h3,5,8H,2,4,6-7H2,1H3,(H3,12,13)
InChIKeyYYGPPUNOZYDUAH-UHFFFAOYSA-N
MW223.34 g/mol
LogP1.82
Rot. Bonds3

About 3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butanimidamide

3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butanimidamide (PubChem CID 60913679) has the molecular formula C11H17N3S and a molecular weight of 223.34 g/mol. Its IUPAC name is 3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butanimidamide.

Molecular Properties

Compound Name3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butanimidamide
PubChem CID60913679
Molecular FormulaC11H17N3S
Molecular Weight223.34 g/mol
Exact Mass223.11
IUPAC Name3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butanimidamide
SMILES[H]/N=C(\N)CC(C)N1CCc2sccc2C1
InChIInChI=1S/C11H17N3S/c1-8(6-11(12)13)14-4-2-10-9(7-14)3-5-15-10/h3,5,8H,2,4,6-7H2,1H3,(H3,12,13)
InChIKeyYYGPPUNOZYDUAH-UHFFFAOYSA-N
XLogP1.82
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butanimidamide 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

2-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-1-propan-2-ylguanidine
CID 111067700
3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-methylbutan-1-amine
CID 79413918
3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-propan-2-ylbutan-1-amine
CID 62438747
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]cyclopropanamine
CID 62439644
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propanoic acid
CID 43101067
2-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-1-(4-propan-2-yloxyphenyl)guanidine
CID 111067740
1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-2-methyl-3-propan-2-ylguanidine
CID 111126538
3-(4-propan-2-ylpiperazin-1-yl)butanimidamide
CID 60914180
2-(4-aminophenyl)-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]acetamide
CID 119856322
4-[1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]aniline
CID 61261654
N-[(2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-2-methoxyacetamide
CID 94095217
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(3,4-dimethoxyphenyl)propanamide
CID 17453700

Frequently Asked Questions

What is the IUPAC name of 3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butanimidamide?
The IUPAC name of 3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butanimidamide (CID 60913679) is 3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butanimidamide.
What is the SMILES notation for 3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butanimidamide?
The canonical SMILES for 3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butanimidamide is [H]/N=C(\N)CC(C)N1CCc2sccc2C1.
What is the InChIKey of 3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butanimidamide?
The InChIKey is YYGPPUNOZYDUAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3S/c1-8(6-11(12)13)14-4-2-10-9(7-14)3-5-15-10/h3,5,8H,2,4,6-7H2,1H3,(H3,12,13).
What are the key properties of 3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butanimidamide?
3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butanimidamide has a molecular weight of 223.34 g/mol, XLogP of 1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butanimidamide is sourced from PubChem (CID 60913679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).