4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-fluoro-N'-hydroxybenzenecarboximidamide

C14H14FN3OS — CID 43658127

IUPAC4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-fluoro-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N\O)c1ccc(N2CCc3sccc3C2)c(F)c1
InChIInChI=1S/C14H14FN3OS/c15-11-7-9(14(16)17-19)1-2-12(11)18-5-3-13-10(8-18)4-6-20-13/h1-2,4,6-7,19H,3,5,8H2,(H2,16,17)
InChIKeyMLQDQYDAVWXHNE-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.54
Rot. Bonds2

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

4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-fluoro-N'-hydroxybenzenecarboximidamide (PubChem CID 43658127) has the molecular formula C14H14FN3OS and a molecular weight of 291.35 g/mol. Its IUPAC name is 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-fluoro-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-fluoro-N'-hydroxybenzenecarboximidamide
PubChem CID43658127
Molecular FormulaC14H14FN3OS
Molecular Weight291.35 g/mol
Exact Mass291.08
IUPAC Name4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-fluoro-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N\O)c1ccc(N2CCc3sccc3C2)c(F)c1
InChIInChI=1S/C14H14FN3OS/c15-11-7-9(14(16)17-19)1-2-12(11)18-5-3-13-10(8-18)4-6-20-13/h1-2,4,6-7,19H,3,5,8H2,(H2,16,17)
InChIKeyMLQDQYDAVWXHNE-UHFFFAOYSA-N
XLogP2.54
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-fluoro-N'-hydroxybenzenecarboximidamide with MolForge

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Related Compounds

3-fluoro-N'-hydroxy-4-(4-methylpiperazin-1-yl)benzenecarboximidamide
CID 43658121
3-fluoro-N'-hydroxy-4-pyrrolidin-1-ylbenzenecarboximidamide
CID 43658117
3-fluoro-N'-hydroxy-4-piperazin-1-ylbenzenecarboximidamide
CID 88870309
4-(2,6-dimethylthiomorpholin-4-yl)-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 77020685
2-bromo-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N'-hydroxybenzenecarboximidamide
CID 107278520
2-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-5-fluorophenyl]ethanamine
CID 55237151
3-bromo-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)benzoic acid
CID 82800897
3-fluoro-N'-hydroxy-4-(3-methylpyrrolidin-1-yl)benzenecarboximidamide
CID 61226785
4-(4-ethylpiperidin-1-yl)-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 61421396
methyl 4-amino-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)benzoate
CID 82790741
4-chloro-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)aniline
CID 115468438
3-fluoro-N'-hydroxy-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)benzenecarboximidamide
CID 77135914

Frequently Asked Questions

What is the IUPAC name of 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-fluoro-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-fluoro-N'-hydroxybenzenecarboximidamide (CID 43658127) is 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-fluoro-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-fluoro-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-fluoro-N'-hydroxybenzenecarboximidamide is N/C(=N\O)c1ccc(N2CCc3sccc3C2)c(F)c1.
What is the InChIKey of 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-fluoro-N'-hydroxybenzenecarboximidamide?
The InChIKey is MLQDQYDAVWXHNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3OS/c15-11-7-9(14(16)17-19)1-2-12(11)18-5-3-13-10(8-18)4-6-20-13/h1-2,4,6-7,19H,3,5,8H2,(H2,16,17).
What are the key properties of 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-fluoro-N'-hydroxybenzenecarboximidamide?
4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-fluoro-N'-hydroxybenzenecarboximidamide has a molecular weight of 291.35 g/mol, XLogP of 2.54, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-fluoro-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 43658127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).