N'-hydroxy-2-(1,3-thiazol-2-ylsulfanyl)-5-(trifluoromethyl)benzenecarboximidamide

C11H8F3N3OS2 — CID 61220460

IUPACN'-hydroxy-2-(1,3-thiazol-2-ylsulfanyl)-5-(trifluoromethyl)benzenecarboximidamide
SMILESNC(=NO)c1cc(C(F)(F)F)ccc1Sc1nccs1
InChIInChI=1S/C11H8F3N3OS2/c12-11(13,14)6-1-2-8(7(5-6)9(15)17-18)20-10-16-3-4-19-10/h1-5,18H,(H2,15,17)
InChIKeyZEEIFBQVACWVFL-UHFFFAOYSA-N
MW319.33 g/mol
LogP3.41
Rot. Bonds3

About N'-hydroxy-2-(1,3-thiazol-2-ylsulfanyl)-5-(trifluoromethyl)benzenecarboximidamide

N'-hydroxy-2-(1,3-thiazol-2-ylsulfanyl)-5-(trifluoromethyl)benzenecarboximidamide (PubChem CID 61220460) has the molecular formula C11H8F3N3OS2 and a molecular weight of 319.33 g/mol. Its IUPAC name is N'-hydroxy-2-(1,3-thiazol-2-ylsulfanyl)-5-(trifluoromethyl)benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-(1,3-thiazol-2-ylsulfanyl)-5-(trifluoromethyl)benzenecarboximidamide
PubChem CID61220460
Molecular FormulaC11H8F3N3OS2
Molecular Weight319.33 g/mol
Exact Mass319.01
IUPAC NameN'-hydroxy-2-(1,3-thiazol-2-ylsulfanyl)-5-(trifluoromethyl)benzenecarboximidamide
SMILESNC(=NO)c1cc(C(F)(F)F)ccc1Sc1nccs1
InChIInChI=1S/C11H8F3N3OS2/c12-11(13,14)6-1-2-8(7(5-6)9(15)17-18)20-10-16-3-4-19-10/h1-5,18H,(H2,15,17)
InChIKeyZEEIFBQVACWVFL-UHFFFAOYSA-N
XLogP3.41
TPSA71.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.33
LogP ≤ 53.41
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 N'-hydroxy-2-(1,3-thiazol-2-ylsulfanyl)-5-(trifluoromethyl)benzenecarboximidamide?
The IUPAC name of N'-hydroxy-2-(1,3-thiazol-2-ylsulfanyl)-5-(trifluoromethyl)benzenecarboximidamide (CID 61220460) is N'-hydroxy-2-(1,3-thiazol-2-ylsulfanyl)-5-(trifluoromethyl)benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-2-(1,3-thiazol-2-ylsulfanyl)-5-(trifluoromethyl)benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-2-(1,3-thiazol-2-ylsulfanyl)-5-(trifluoromethyl)benzenecarboximidamide is NC(=NO)c1cc(C(F)(F)F)ccc1Sc1nccs1.
What is the InChIKey of N'-hydroxy-2-(1,3-thiazol-2-ylsulfanyl)-5-(trifluoromethyl)benzenecarboximidamide?
The InChIKey is ZEEIFBQVACWVFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3N3OS2/c12-11(13,14)6-1-2-8(7(5-6)9(15)17-18)20-10-16-3-4-19-10/h1-5,18H,(H2,15,17).
What are the key properties of N'-hydroxy-2-(1,3-thiazol-2-ylsulfanyl)-5-(trifluoromethyl)benzenecarboximidamide?
N'-hydroxy-2-(1,3-thiazol-2-ylsulfanyl)-5-(trifluoromethyl)benzenecarboximidamide has a molecular weight of 319.33 g/mol, XLogP of 3.41, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-(1,3-thiazol-2-ylsulfanyl)-5-(trifluoromethyl)benzenecarboximidamide is sourced from PubChem (CID 61220460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).