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

C15H16FN3S — CID 63290667

IUPAC2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-5-fluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(F)ccc1CN1CCc2sccc2C1
InChIInChI=1S/C15H16FN3S/c16-12-2-1-10(13(7-12)15(17)18)8-19-5-3-14-11(9-19)4-6-20-14/h1-2,4,6-7H,3,5,8-9H2,(H3,17,18)
InChIKeyIDGPLKSPFZAFLT-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.73
Rot. Bonds3

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

2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-5-fluorobenzenecarboximidamide (PubChem CID 63290667) has the molecular formula C15H16FN3S and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-5-fluorobenzenecarboximidamide.

Molecular Properties

Compound Name2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-5-fluorobenzenecarboximidamide
PubChem CID63290667
Molecular FormulaC15H16FN3S
Molecular Weight289.38 g/mol
Exact Mass289.10
IUPAC Name2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-5-fluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(F)ccc1CN1CCc2sccc2C1
InChIInChI=1S/C15H16FN3S/c16-12-2-1-10(13(7-12)15(17)18)8-19-5-3-14-11(9-19)4-6-20-14/h1-2,4,6-7H,3,5,8-9H2,(H3,17,18)
InChIKeyIDGPLKSPFZAFLT-UHFFFAOYSA-N
XLogP2.73
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.73
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'}

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Related Compounds

[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-5-fluorophenyl]methanamine
CID 63288847
5-fluoro-2-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]benzenecarboximidamide
CID 63290975
4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-3-fluorobenzenecarbothioamide
CID 29273112
4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-3-fluoroaniline
CID 64767664
3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-4-fluorobenzenecarbothioamide
CID 29296572
5-[(2-fluorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 3042998
3-amino-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)benzamide
CID 43375509
5-fluoro-2-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]benzenecarboximidamide
CID 63291070
[3-bromo-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)phenyl]methanamine
CID 102768916
2-(1,3-dihydroisoindol-2-ylmethyl)-5-fluorobenzoic acid
CID 63289404
N-[[3-bromo-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)phenyl]methyl]ethanamine
CID 102768913
5-[(2-chlorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydron;chloride
CID 657310

Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-5-fluorobenzenecarboximidamide?
The IUPAC name of 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-5-fluorobenzenecarboximidamide (CID 63290667) is 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-5-fluorobenzenecarboximidamide.
What is the SMILES notation for 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-5-fluorobenzenecarboximidamide?
The canonical SMILES for 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-5-fluorobenzenecarboximidamide is [H]/N=C(\N)c1cc(F)ccc1CN1CCc2sccc2C1.
What is the InChIKey of 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-5-fluorobenzenecarboximidamide?
The InChIKey is IDGPLKSPFZAFLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3S/c16-12-2-1-10(13(7-12)15(17)18)8-19-5-3-14-11(9-19)4-6-20-14/h1-2,4,6-7H,3,5,8-9H2,(H3,17,18).
What are the key properties of 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-5-fluorobenzenecarboximidamide?
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-5-fluorobenzenecarboximidamide has a molecular weight of 289.38 g/mol, XLogP of 2.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-5-fluorobenzenecarboximidamide is sourced from PubChem (CID 63290667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).