5-fluoro-N'-hydroxy-2-(1,3-thiazol-2-ylsulfanylmethyl)benzenecarboximidamide

C11H10FN3OS2 — CID 55172518

IUPAC5-fluoro-N'-hydroxy-2-(1,3-thiazol-2-ylsulfanylmethyl)benzenecarboximidamide
SMILESN/C(=N/O)c1cc(F)ccc1CSc1nccs1
InChIInChI=1S/C11H10FN3OS2/c12-8-2-1-7(9(5-8)10(13)15-16)6-18-11-14-3-4-17-11/h1-5,16H,6H2,(H2,13,15)
InChIKeyFYORIVUALVDCTQ-UHFFFAOYSA-N
MW283.35 g/mol
LogP2.67
Rot. Bonds4

About 5-fluoro-N'-hydroxy-2-(1,3-thiazol-2-ylsulfanylmethyl)benzenecarboximidamide

5-fluoro-N'-hydroxy-2-(1,3-thiazol-2-ylsulfanylmethyl)benzenecarboximidamide (PubChem CID 55172518) has the molecular formula C11H10FN3OS2 and a molecular weight of 283.35 g/mol. Its IUPAC name is 5-fluoro-N'-hydroxy-2-(1,3-thiazol-2-ylsulfanylmethyl)benzenecarboximidamide.

Molecular Properties

Compound Name5-fluoro-N'-hydroxy-2-(1,3-thiazol-2-ylsulfanylmethyl)benzenecarboximidamide
PubChem CID55172518
Molecular FormulaC11H10FN3OS2
Molecular Weight283.35 g/mol
Exact Mass283.02
IUPAC Name5-fluoro-N'-hydroxy-2-(1,3-thiazol-2-ylsulfanylmethyl)benzenecarboximidamide
SMILESN/C(=N/O)c1cc(F)ccc1CSc1nccs1
InChIInChI=1S/C11H10FN3OS2/c12-8-2-1-7(9(5-8)10(13)15-16)6-18-11-14-3-4-17-11/h1-5,16H,6H2,(H2,13,15)
InChIKeyFYORIVUALVDCTQ-UHFFFAOYSA-N
XLogP2.67
TPSA71.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiazol_SC_A(3)', 'substructure': 'N/A'}, {'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 5-fluoro-N'-hydroxy-2-(1,3-thiazol-2-ylsulfanylmethyl)benzenecarboximidamide?
The IUPAC name of 5-fluoro-N'-hydroxy-2-(1,3-thiazol-2-ylsulfanylmethyl)benzenecarboximidamide (CID 55172518) is 5-fluoro-N'-hydroxy-2-(1,3-thiazol-2-ylsulfanylmethyl)benzenecarboximidamide.
What is the SMILES notation for 5-fluoro-N'-hydroxy-2-(1,3-thiazol-2-ylsulfanylmethyl)benzenecarboximidamide?
The canonical SMILES for 5-fluoro-N'-hydroxy-2-(1,3-thiazol-2-ylsulfanylmethyl)benzenecarboximidamide is N/C(=N/O)c1cc(F)ccc1CSc1nccs1.
What is the InChIKey of 5-fluoro-N'-hydroxy-2-(1,3-thiazol-2-ylsulfanylmethyl)benzenecarboximidamide?
The InChIKey is FYORIVUALVDCTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3OS2/c12-8-2-1-7(9(5-8)10(13)15-16)6-18-11-14-3-4-17-11/h1-5,16H,6H2,(H2,13,15).
What are the key properties of 5-fluoro-N'-hydroxy-2-(1,3-thiazol-2-ylsulfanylmethyl)benzenecarboximidamide?
5-fluoro-N'-hydroxy-2-(1,3-thiazol-2-ylsulfanylmethyl)benzenecarboximidamide has a molecular weight of 283.35 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N'-hydroxy-2-(1,3-thiazol-2-ylsulfanylmethyl)benzenecarboximidamide is sourced from PubChem (CID 55172518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).