1-benzothiophen-3-yl(methyl)cyanamide

C10H8N2S — CID 117043270

IUPAC1-benzothiophen-3-yl(methyl)cyanamide
SMILESCN(C#N)c1csc2ccccc12
InChIInChI=1S/C10H8N2S/c1-12(7-11)9-6-13-10-5-3-2-4-8(9)10/h2-6H,1H3
InChIKeyFSUJOTVDTHTWRX-UHFFFAOYSA-N
MW188.25 g/mol
LogP2.82
Rot. Bonds1

About 1-benzothiophen-3-yl(methyl)cyanamide

1-benzothiophen-3-yl(methyl)cyanamide (PubChem CID 117043270) has the molecular formula C10H8N2S and a molecular weight of 188.25 g/mol. Its IUPAC name is 1-benzothiophen-3-yl(methyl)cyanamide.

Molecular Properties

Compound Name1-benzothiophen-3-yl(methyl)cyanamide
PubChem CID117043270
Molecular FormulaC10H8N2S
Molecular Weight188.25 g/mol
Exact Mass188.04
IUPAC Name1-benzothiophen-3-yl(methyl)cyanamide
SMILESCN(C#N)c1csc2ccccc12
InChIInChI=1S/C10H8N2S/c1-12(7-11)9-6-13-10-5-3-2-4-8(9)10/h2-6H,1H3
InChIKeyFSUJOTVDTHTWRX-UHFFFAOYSA-N
XLogP2.82
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.25
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

Analyze 1-benzothiophen-3-yl(methyl)cyanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[bis(1-benzothiophen-3-yl)amino]benzonitrile
CID 90332190
2-(1-benzothiophen-3-yl)ethyl-methylcyanamide
CID 117043578
N'-(1-benzothiophen-3-yl)-N,N'-dimethylmethanediamine
CID 115226761
2-N-(1-benzothiophen-3-yl)-2-N-methylpropane-1,2-diamine
CID 117039948
N-(1-benzothiophen-3-yl)-2-hydroxy-N-methylacetamide
CID 115139778
N-[1-benzothiophen-3-yl(dimethylamino)phosphanyl]-N-methylmethanamine
CID 11680403
N-tert-butyl-N-(4-tert-butylphenyl)-1-benzothiophen-3-amine
CID 176910613
2-[1-benzothiophen-3-yl(methyl)amino]-3-methylbutan-1-ol
CID 115137486
4-[1-benzothiophen-3-yl(methyl)amino]butan-2-one
CID 115235591
N-(1-benzothiophen-3-yl)-N-methyl-2-(methylamino)acetamide
CID 115151908
3-methyl-1-benzothiophene;zinc
CID 70563074
N'-(1-benzothiophen-3-yl)-N',2,2-trimethylbutane-1,4-diamine
CID 115204843

Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-3-yl(methyl)cyanamide?
The IUPAC name of 1-benzothiophen-3-yl(methyl)cyanamide (CID 117043270) is 1-benzothiophen-3-yl(methyl)cyanamide.
What is the SMILES notation for 1-benzothiophen-3-yl(methyl)cyanamide?
The canonical SMILES for 1-benzothiophen-3-yl(methyl)cyanamide is CN(C#N)c1csc2ccccc12.
What is the InChIKey of 1-benzothiophen-3-yl(methyl)cyanamide?
The InChIKey is FSUJOTVDTHTWRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2S/c1-12(7-11)9-6-13-10-5-3-2-4-8(9)10/h2-6H,1H3.
What are the key properties of 1-benzothiophen-3-yl(methyl)cyanamide?
1-benzothiophen-3-yl(methyl)cyanamide has a molecular weight of 188.25 g/mol, XLogP of 2.82, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophen-3-yl(methyl)cyanamide is sourced from PubChem (CID 117043270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).