N-hydroxy-N'-(4-methylphenyl)thiophene-2-carboximidamide

C12H12N2OS — CID 611980

IUPACN-hydroxy-N'-(4-methylphenyl)thiophene-2-carboximidamide
SMILESCc1ccc(/N=C(\NO)c2cccs2)cc1
InChIInChI=1S/C12H12N2OS/c1-9-4-6-10(7-5-9)13-12(14-15)11-3-2-8-16-11/h2-8,15H,1H3,(H,13,14)
InChIKeyRIFGHSGQFSJYMW-UHFFFAOYSA-N
MW232.31 g/mol
LogP3.11
Rot. Bonds2

About N-hydroxy-N'-(4-methylphenyl)thiophene-2-carboximidamide

N-hydroxy-N'-(4-methylphenyl)thiophene-2-carboximidamide (PubChem CID 611980) has the molecular formula C12H12N2OS and a molecular weight of 232.31 g/mol. Its IUPAC name is N-hydroxy-N'-(4-methylphenyl)thiophene-2-carboximidamide.

Molecular Properties

Compound NameN-hydroxy-N'-(4-methylphenyl)thiophene-2-carboximidamide
PubChem CID611980
Molecular FormulaC12H12N2OS
Molecular Weight232.31 g/mol
Exact Mass232.07
IUPAC NameN-hydroxy-N'-(4-methylphenyl)thiophene-2-carboximidamide
SMILESCc1ccc(/N=C(\NO)c2cccs2)cc1
InChIInChI=1S/C12H12N2OS/c1-9-4-6-10(7-5-9)13-12(14-15)11-3-2-8-16-11/h2-8,15H,1H3,(H,13,14)
InChIKeyRIFGHSGQFSJYMW-UHFFFAOYSA-N
XLogP3.11
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.31
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-methylphenyl)-1-morpholin-4-yl-1-thiophen-2-ylmethanimine
CID 645571
N'-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]thiophene-2-carboximidamide
CID 54405425
N,N'-bis(4-methoxyphenyl)-1,2-dithiophen-2-ylethane-1,2-diimine
CID 101472894
N-hydroxy-4-methyl-N'-(3-methylphenyl)benzenecarboximidamide
CID 12966219
N-(4-methylphenyl)-2-[(E)-1-thiophen-2-ylethylideneamino]oxyacetamide
CID 5410197
(1E)-N-(4-methylphenyl)-2-oxo-2-thiophen-2-ylethanehydrazonoyl chloride
CID 10956844
N-hydroxy-6-methyl-2-(4-methylphenoxy)-N'-(thiophen-2-ylmethyl)pyridine-3-carboximidamide
CID 56676193
N'-[3-(4-methylphenyl)prop-2-enoyl]thiophene-2-carbohydrazide
CID 917715
2-(benzylidenehydrazinylidene)-N-hydroxy-N'-(4-methylphenyl)propanimidamide
CID 168664778
N'-[4-[4-[[amino(thiophen-2-yl)methylidene]amino]phenoxy]phenyl]thiophene-2-carboximidamide
CID 11200925
N-hydroxy-6-methyl-2-(4-methylphenoxy)-N'-phenylpyridine-3-carboximidamide
CID 56682573
(NE)-N-[2-(hydroxyamino)-1-thiophen-2-ylethylidene]hydroxylamine
CID 6340976

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-N'-(4-methylphenyl)thiophene-2-carboximidamide?
The IUPAC name of N-hydroxy-N'-(4-methylphenyl)thiophene-2-carboximidamide (CID 611980) is N-hydroxy-N'-(4-methylphenyl)thiophene-2-carboximidamide.
What is the SMILES notation for N-hydroxy-N'-(4-methylphenyl)thiophene-2-carboximidamide?
The canonical SMILES for N-hydroxy-N'-(4-methylphenyl)thiophene-2-carboximidamide is Cc1ccc(/N=C(\NO)c2cccs2)cc1.
What is the InChIKey of N-hydroxy-N'-(4-methylphenyl)thiophene-2-carboximidamide?
The InChIKey is RIFGHSGQFSJYMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2OS/c1-9-4-6-10(7-5-9)13-12(14-15)11-3-2-8-16-11/h2-8,15H,1H3,(H,13,14).
What are the key properties of N-hydroxy-N'-(4-methylphenyl)thiophene-2-carboximidamide?
N-hydroxy-N'-(4-methylphenyl)thiophene-2-carboximidamide has a molecular weight of 232.31 g/mol, XLogP of 3.11, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-N'-(4-methylphenyl)thiophene-2-carboximidamide is sourced from PubChem (CID 611980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).