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

C16H18FN3S — CID 63290975

IUPAC5-fluoro-2-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(F)ccc1CN1CCc2sccc2C1C
InChIInChI=1S/C16H18FN3S/c1-10-13-5-7-21-15(13)4-6-20(10)9-11-2-3-12(17)8-14(11)16(18)19/h2-3,5,7-8,10H,4,6,9H2,1H3,(H3,18,19)
InChIKeyFFUOWZDSFMGHFQ-UHFFFAOYSA-N
MW303.41 g/mol
LogP3.29
Rot. Bonds3

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

5-fluoro-2-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]benzenecarboximidamide (PubChem CID 63290975) has the molecular formula C16H18FN3S and a molecular weight of 303.41 g/mol. Its IUPAC name is 5-fluoro-2-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]benzenecarboximidamide.

Molecular Properties

Compound Name5-fluoro-2-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]benzenecarboximidamide
PubChem CID63290975
Molecular FormulaC16H18FN3S
Molecular Weight303.41 g/mol
Exact Mass303.12
IUPAC Name5-fluoro-2-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(F)ccc1CN1CCc2sccc2C1C
InChIInChI=1S/C16H18FN3S/c1-10-13-5-7-21-15(13)4-6-20(10)9-11-2-3-12(17)8-14(11)16(18)19/h2-3,5,7-8,10H,4,6,9H2,1H3,(H3,18,19)
InChIKeyFFUOWZDSFMGHFQ-UHFFFAOYSA-N
XLogP3.29
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 53.29
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 5-fluoro-2-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]benzenecarboximidamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]benzenecarboximidamide?
The IUPAC name of 5-fluoro-2-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]benzenecarboximidamide (CID 63290975) is 5-fluoro-2-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]benzenecarboximidamide.
What is the SMILES notation for 5-fluoro-2-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]benzenecarboximidamide?
The canonical SMILES for 5-fluoro-2-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]benzenecarboximidamide is [H]/N=C(\N)c1cc(F)ccc1CN1CCc2sccc2C1C.
What is the InChIKey of 5-fluoro-2-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]benzenecarboximidamide?
The InChIKey is FFUOWZDSFMGHFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3S/c1-10-13-5-7-21-15(13)4-6-20(10)9-11-2-3-12(17)8-14(11)16(18)19/h2-3,5,7-8,10H,4,6,9H2,1H3,(H3,18,19).
What are the key properties of 5-fluoro-2-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]benzenecarboximidamide?
5-fluoro-2-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]benzenecarboximidamide has a molecular weight of 303.41 g/mol, XLogP of 3.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]benzenecarboximidamide is sourced from PubChem (CID 63290975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).