5-fluoro-N'-hydroxy-2-(2-methylfuran-3-yl)sulfanylbenzenecarboximidamide

C12H11FN2O2S — CID 107780274

IUPAC5-fluoro-N'-hydroxy-2-(2-methylfuran-3-yl)sulfanylbenzenecarboximidamide
SMILESCc1occc1Sc1ccc(F)cc1/C(N)=N/O
InChIInChI=1S/C12H11FN2O2S/c1-7-10(4-5-17-7)18-11-3-2-8(13)6-9(11)12(14)15-16/h2-6,16H,1H3,(H2,14,15)
InChIKeyFTZXBPWXMZRJCP-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.97
Rot. Bonds3

About 5-fluoro-N'-hydroxy-2-(2-methylfuran-3-yl)sulfanylbenzenecarboximidamide

5-fluoro-N'-hydroxy-2-(2-methylfuran-3-yl)sulfanylbenzenecarboximidamide (PubChem CID 107780274) has the molecular formula C12H11FN2O2S and a molecular weight of 266.30 g/mol. Its IUPAC name is 5-fluoro-N'-hydroxy-2-(2-methylfuran-3-yl)sulfanylbenzenecarboximidamide.

Molecular Properties

Compound Name5-fluoro-N'-hydroxy-2-(2-methylfuran-3-yl)sulfanylbenzenecarboximidamide
PubChem CID107780274
Molecular FormulaC12H11FN2O2S
Molecular Weight266.30 g/mol
Exact Mass266.05
IUPAC Name5-fluoro-N'-hydroxy-2-(2-methylfuran-3-yl)sulfanylbenzenecarboximidamide
SMILESCc1occc1Sc1ccc(F)cc1/C(N)=N/O
InChIInChI=1S/C12H11FN2O2S/c1-7-10(4-5-17-7)18-11-3-2-8(13)6-9(11)12(14)15-16/h2-6,16H,1H3,(H2,14,15)
InChIKeyFTZXBPWXMZRJCP-UHFFFAOYSA-N
XLogP2.97
TPSA71.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.97
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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Related Compounds

[5-Fluoro-2-(furan-2-ylmethylsulfanyl)phenyl]methanamine
CID 63673998
[2-Fluoro-6-(furan-2-ylmethylsulfanyl)phenyl]methanamine
CID 79515356
3,5-difluoro-N'-hydroxy-4-(2-methylfuran-3-yl)sulfanylbenzenecarboximidamide
CID 107780236
2-bromo-3-fluoro-N'-hydroxy-4-(2-methylfuran-3-yl)sulfanylbenzenecarboximidamide
CID 107780239
N'-hydroxy-2-(2-methylfuran-3-yl)sulfanyl-5-(trifluoromethyl)benzenecarboximidamide
CID 107780249
N'-hydroxy-5-(2-methylfuran-3-yl)sulfanyl-2-(trifluoromethyl)benzenecarboximidamide
CID 107780259
N'-hydroxy-4-(2-methylfuran-3-yl)sulfanyl-2-(trifluoromethyl)benzenecarboximidamide
CID 107780271
3-fluoro-N'-hydroxy-4-[(2-methylfuran-3-yl)sulfanylmethyl]benzenecarboximidamide
CID 107780316
2-fluoro-N'-hydroxy-3-[(2-methylfuran-3-yl)sulfanylmethyl]benzenecarboximidamide
CID 107780317
5-fluoro-N'-hydroxy-2-[(2-methylfuran-3-yl)sulfanylmethyl]benzenecarboximidamide
CID 107780326
3-fluoro-N'-hydroxy-5-[(2-methylfuran-3-yl)sulfanylmethyl]benzenecarboximidamide
CID 107780333
2-Fluoro-6-(2-methylfuran-3-yl)sulfanylbenzenecarboximidamide
CID 107780385

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N'-hydroxy-2-(2-methylfuran-3-yl)sulfanylbenzenecarboximidamide?
The IUPAC name of 5-fluoro-N'-hydroxy-2-(2-methylfuran-3-yl)sulfanylbenzenecarboximidamide (CID 107780274) is 5-fluoro-N'-hydroxy-2-(2-methylfuran-3-yl)sulfanylbenzenecarboximidamide.
What is the SMILES notation for 5-fluoro-N'-hydroxy-2-(2-methylfuran-3-yl)sulfanylbenzenecarboximidamide?
The canonical SMILES for 5-fluoro-N'-hydroxy-2-(2-methylfuran-3-yl)sulfanylbenzenecarboximidamide is Cc1occc1Sc1ccc(F)cc1/C(N)=N/O.
What is the InChIKey of 5-fluoro-N'-hydroxy-2-(2-methylfuran-3-yl)sulfanylbenzenecarboximidamide?
The InChIKey is FTZXBPWXMZRJCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O2S/c1-7-10(4-5-17-7)18-11-3-2-8(13)6-9(11)12(14)15-16/h2-6,16H,1H3,(H2,14,15).
What are the key properties of 5-fluoro-N'-hydroxy-2-(2-methylfuran-3-yl)sulfanylbenzenecarboximidamide?
5-fluoro-N'-hydroxy-2-(2-methylfuran-3-yl)sulfanylbenzenecarboximidamide has a molecular weight of 266.30 g/mol, XLogP of 2.97, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N'-hydroxy-2-(2-methylfuran-3-yl)sulfanylbenzenecarboximidamide is sourced from PubChem (CID 107780274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).