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

C15H16FN3OS — CID 43095002

IUPAC4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-3-fluoro-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N\O)c1ccc(CN2CCc3sccc3C2)c(F)c1
InChIInChI=1S/C15H16FN3OS/c16-13-7-10(15(17)18-20)1-2-11(13)8-19-5-3-14-12(9-19)4-6-21-14/h1-2,4,6-7,20H,3,5,8-9H2,(H2,17,18)
InChIKeyAHDSKRBIEFBSJX-UHFFFAOYSA-N
MW305.38 g/mol
LogP2.54
Rot. Bonds3

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

4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-3-fluoro-N'-hydroxybenzenecarboximidamide (PubChem CID 43095002) has the molecular formula C15H16FN3OS and a molecular weight of 305.38 g/mol. Its IUPAC name is 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-3-fluoro-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-3-fluoro-N'-hydroxybenzenecarboximidamide
PubChem CID43095002
Molecular FormulaC15H16FN3OS
Molecular Weight305.38 g/mol
Exact Mass305.10
IUPAC Name4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-3-fluoro-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N\O)c1ccc(CN2CCc3sccc3C2)c(F)c1
InChIInChI=1S/C15H16FN3OS/c16-13-7-10(15(17)18-20)1-2-11(13)8-19-5-3-14-12(9-19)4-6-21-14/h1-2,4,6-7,20H,3,5,8-9H2,(H2,17,18)
InChIKeyAHDSKRBIEFBSJX-UHFFFAOYSA-N
XLogP2.54
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
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'}

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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-fluoro-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-3-fluoro-N'-hydroxybenzenecarboximidamide (CID 43095002) is 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-3-fluoro-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-3-fluoro-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-3-fluoro-N'-hydroxybenzenecarboximidamide is N/C(=N\O)c1ccc(CN2CCc3sccc3C2)c(F)c1.
What is the InChIKey of 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-3-fluoro-N'-hydroxybenzenecarboximidamide?
The InChIKey is AHDSKRBIEFBSJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3OS/c16-13-7-10(15(17)18-20)1-2-11(13)8-19-5-3-14-12(9-19)4-6-21-14/h1-2,4,6-7,20H,3,5,8-9H2,(H2,17,18).
What are the key properties of 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-3-fluoro-N'-hydroxybenzenecarboximidamide?
4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-3-fluoro-N'-hydroxybenzenecarboximidamide has a molecular weight of 305.38 g/mol, XLogP of 2.54, 3 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-ylmethyl)-3-fluoro-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 43095002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).