N'-hydroxy-1-benzothiophene-2-carboximidamide

C9H8N2OS — CID 6161317

IUPACN'-hydroxy-1-benzothiophene-2-carboximidamide
SMILESN/C(=N/O)c1cc2ccccc2s1
InChIInChI=1S/C9H8N2OS/c10-9(11-12)8-5-6-3-1-2-4-7(6)13-8/h1-5,12H,(H2,10,11)
InChIKeyONPLKPJOVPZABE-UHFFFAOYSA-N
MW192.24 g/mol
LogP2.00
Rot. Bonds1

About N'-hydroxy-1-benzothiophene-2-carboximidamide

N'-hydroxy-1-benzothiophene-2-carboximidamide (PubChem CID 6161317) has the molecular formula C9H8N2OS and a molecular weight of 192.24 g/mol. Its IUPAC name is N'-hydroxy-1-benzothiophene-2-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-1-benzothiophene-2-carboximidamide
PubChem CID6161317
Molecular FormulaC9H8N2OS
Molecular Weight192.24 g/mol
Exact Mass192.04
IUPAC NameN'-hydroxy-1-benzothiophene-2-carboximidamide
SMILESN/C(=N/O)c1cc2ccccc2s1
InChIInChI=1S/C9H8N2OS/c10-9(11-12)8-5-6-3-1-2-4-7(6)13-8/h1-5,12H,(H2,10,11)
InChIKeyONPLKPJOVPZABE-UHFFFAOYSA-N
XLogP2.00
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.24
LogP ≤ 52.00
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': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-benzothiophene-2-carbothioamide
CID 15166169
N',5,6-trihydroxy-1-benzothiophene-2-carboximidamide;hydrochloride
CID 162168720
N'-hydroxy-6-phenylmethoxy-1-benzothiophene-2-carboximidamide
CID 24859715
7-bromo-N'-hydroxy-1-benzothiophene-2-carboximidamide
CID 118056521
N-(diaminomethylidene)-1-benzothiophene-2-carboxamide;hydrochloride
CID 22097845
bis(1-benzothiophen-2-yl)methanone
CID 5330534
(1-benzothiophene-2-carbonylamino)urea
CID 57488392
benzamide;1-benzothiophene-2-carboxylic acid
CID 158859851
[5-(1-benzothiophene-2-carbonyl)thiophen-2-yl]-(1-benzothiophen-2-yl)methanone
CID 58875873
1-(1-benzothiophen-2-yl)propan-1-one;methanamine
CID 171632714
1-benzothiophen-2-yl(phenyl)methanone
CID 3842890
N-amino-N'-tert-butyl-1-benzothiophene-2-carboximidamide
CID 61406895

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-1-benzothiophene-2-carboximidamide?
The IUPAC name of N'-hydroxy-1-benzothiophene-2-carboximidamide (CID 6161317) is N'-hydroxy-1-benzothiophene-2-carboximidamide.
What is the SMILES notation for N'-hydroxy-1-benzothiophene-2-carboximidamide?
The canonical SMILES for N'-hydroxy-1-benzothiophene-2-carboximidamide is N/C(=N/O)c1cc2ccccc2s1.
What is the InChIKey of N'-hydroxy-1-benzothiophene-2-carboximidamide?
The InChIKey is ONPLKPJOVPZABE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2OS/c10-9(11-12)8-5-6-3-1-2-4-7(6)13-8/h1-5,12H,(H2,10,11).
What are the key properties of N'-hydroxy-1-benzothiophene-2-carboximidamide?
N'-hydroxy-1-benzothiophene-2-carboximidamide has a molecular weight of 192.24 g/mol, XLogP of 2.00, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-1-benzothiophene-2-carboximidamide is sourced from PubChem (CID 6161317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).