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

C15H16FN3S — CID 24695575

IUPAC4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-3-fluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(CN2CCc3sccc3C2)c(F)c1
InChIInChI=1S/C15H16FN3S/c16-13-7-10(15(17)18)1-2-11(13)8-19-5-3-14-12(9-19)4-6-20-14/h1-2,4,6-7H,3,5,8-9H2,(H3,17,18)
InChIKeyDSIRLJPBEVPOFY-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.73
Rot. Bonds3

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

4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-3-fluorobenzenecarboximidamide (PubChem CID 24695575) has the molecular formula C15H16FN3S and a molecular weight of 289.38 g/mol. Its IUPAC name is 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-3-fluorobenzenecarboximidamide.

Molecular Properties

Compound Name4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-3-fluorobenzenecarboximidamide
PubChem CID24695575
Molecular FormulaC15H16FN3S
Molecular Weight289.38 g/mol
Exact Mass289.10
IUPAC Name4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-3-fluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(CN2CCc3sccc3C2)c(F)c1
InChIInChI=1S/C15H16FN3S/c16-13-7-10(15(17)18)1-2-11(13)8-19-5-3-14-12(9-19)4-6-20-14/h1-2,4,6-7H,3,5,8-9H2,(H3,17,18)
InChIKeyDSIRLJPBEVPOFY-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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Frequently Asked Questions

What is the IUPAC name of 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-3-fluorobenzenecarboximidamide?
The IUPAC name of 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-3-fluorobenzenecarboximidamide (CID 24695575) is 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-3-fluorobenzenecarboximidamide.
What is the SMILES notation for 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-3-fluorobenzenecarboximidamide?
The canonical SMILES for 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-3-fluorobenzenecarboximidamide is [H]/N=C(\N)c1ccc(CN2CCc3sccc3C2)c(F)c1.
What is the InChIKey of 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-3-fluorobenzenecarboximidamide?
The InChIKey is DSIRLJPBEVPOFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3S/c16-13-7-10(15(17)18)1-2-11(13)8-19-5-3-14-12(9-19)4-6-20-14/h1-2,4,6-7H,3,5,8-9H2,(H3,17,18).
What are the key properties of 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-3-fluorobenzenecarboximidamide?
4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-3-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 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-3-fluorobenzenecarboximidamide is sourced from PubChem (CID 24695575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).