potassium;1-[1-(1-benzothiophen-2-yl)ethyl]-1-hydroxyurea;hydride

C11H13KN2O2S — CID 173208047

IUPACpotassium;1-[1-(1-benzothiophen-2-yl)ethyl]-1-hydroxyurea;hydride
SMILESCC(c1cc2ccccc2s1)N(O)C(N)=O.[H-].[K+]
InChIInChI=1S/C11H12N2O2S.K.H/c1-7(13(15)11(12)14)10-6-8-4-2-3-5-9(8)16-10;;/h2-7,15H,1H3,(H2,12,14);;/q;+1;-1
InChIKeyBCAKHZXFEKNPMW-UHFFFAOYSA-N
MW276.40 g/mol
LogP-0.15
Rot. Bonds2

About potassium;1-[1-(1-benzothiophen-2-yl)ethyl]-1-hydroxyurea;hydride

potassium;1-[1-(1-benzothiophen-2-yl)ethyl]-1-hydroxyurea;hydride (PubChem CID 173208047) has the molecular formula C11H13KN2O2S and a molecular weight of 276.40 g/mol. Its IUPAC name is potassium;1-[1-(1-benzothiophen-2-yl)ethyl]-1-hydroxyurea;hydride.

Molecular Properties

Compound Namepotassium;1-[1-(1-benzothiophen-2-yl)ethyl]-1-hydroxyurea;hydride
PubChem CID173208047
Molecular FormulaC11H13KN2O2S
Molecular Weight276.40 g/mol
Exact Mass276.03
IUPAC Namepotassium;1-[1-(1-benzothiophen-2-yl)ethyl]-1-hydroxyurea;hydride
SMILESCC(c1cc2ccccc2s1)N(O)C(N)=O.[H-].[K+]
InChIInChI=1S/C11H12N2O2S.K.H/c1-7(13(15)11(12)14)10-6-8-4-2-3-5-9(8)16-10;;/h2-7,15H,1H3,(H2,12,14);;/q;+1;-1
InChIKeyBCAKHZXFEKNPMW-UHFFFAOYSA-N
XLogP-0.15
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(1S)-1-(1-benzothiophen-2-yl)ethyl]-N-hydroxyacetamide;1-[(1R)-1-(1-benzothiophen-2-yl)ethyl]-1-hydroxyurea
CID 158690379
1-hydroxy-1-[(1S)-1-(6-hydroxy-1-benzothiophen-2-yl)ethyl]urea
CID 154700148
N-[1-(1-benzothiophen-2-yl)ethyl]-N-prop-1-en-2-ylhydroxylamine
CID 123478866
1-[4-(1-benzothiophen-2-yl)but-3-en-2-yl]-1-hydroxyurea
CID 23798209
[[(1R)-1-(1-benzothiophen-2-yl)ethyl]-carbamoylamino] (2R)-2-methoxy-2-phenylacetate
CID 10691423
1-(1-benzothiophen-2-yl)ethanamine
CID 3904659
(2R)-2-(1-benzothiophen-2-yl)propanoate
CID 7230612
1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;1-[1-(1-benzothiophen-2-yl)ethyl]-1-hydroxyurea
CID 11656870
(2S)-4-[1-(1-benzothiophen-2-yl)ethyl-hydroxycarbamoyl]-1-(diphenylcarbamoyl)piperazine-2-carboxylic acid
CID 139448740
2-[1-(1-benzothiophen-2-yl)ethyl-[2-(dimethylamino)ethyl]amino]acetic acid
CID 107426442
3-(1-benzothiophen-2-yl)butan-2-ol
CID 67935656
1-(1-benzothiophen-2-yl)-3-methylbutan-1-amine
CID 115782410

Frequently Asked Questions

What is the IUPAC name of potassium;1-[1-(1-benzothiophen-2-yl)ethyl]-1-hydroxyurea;hydride?
The IUPAC name of potassium;1-[1-(1-benzothiophen-2-yl)ethyl]-1-hydroxyurea;hydride (CID 173208047) is potassium;1-[1-(1-benzothiophen-2-yl)ethyl]-1-hydroxyurea;hydride.
What is the SMILES notation for potassium;1-[1-(1-benzothiophen-2-yl)ethyl]-1-hydroxyurea;hydride?
The canonical SMILES for potassium;1-[1-(1-benzothiophen-2-yl)ethyl]-1-hydroxyurea;hydride is CC(c1cc2ccccc2s1)N(O)C(N)=O.[H-].[K+].
What is the InChIKey of potassium;1-[1-(1-benzothiophen-2-yl)ethyl]-1-hydroxyurea;hydride?
The InChIKey is BCAKHZXFEKNPMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2S.K.H/c1-7(13(15)11(12)14)10-6-8-4-2-3-5-9(8)16-10;;/h2-7,15H,1H3,(H2,12,14);;/q;+1;-1.
What are the key properties of potassium;1-[1-(1-benzothiophen-2-yl)ethyl]-1-hydroxyurea;hydride?
potassium;1-[1-(1-benzothiophen-2-yl)ethyl]-1-hydroxyurea;hydride has a molecular weight of 276.40 g/mol, XLogP of -0.15, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;1-[1-(1-benzothiophen-2-yl)ethyl]-1-hydroxyurea;hydride is sourced from PubChem (CID 173208047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).