2-[1-benzothiophen-3-ylmethyl(propyl)amino]ethanethioamide

C14H18N2S2 — CID 63742819

IUPAC2-[1-benzothiophen-3-ylmethyl(propyl)amino]ethanethioamide
SMILESCCCN(CC(N)=S)Cc1csc2ccccc12
InChIInChI=1S/C14H18N2S2/c1-2-7-16(9-14(15)17)8-11-10-18-13-6-4-3-5-12(11)13/h3-6,10H,2,7-9H2,1H3,(H2,15,17)
InChIKeyGGZUXQOWPLOPGH-UHFFFAOYSA-N
MW278.45 g/mol
LogP3.40
Rot. Bonds6

About 2-[1-benzothiophen-3-ylmethyl(propyl)amino]ethanethioamide

2-[1-benzothiophen-3-ylmethyl(propyl)amino]ethanethioamide (PubChem CID 63742819) has the molecular formula C14H18N2S2 and a molecular weight of 278.45 g/mol. Its IUPAC name is 2-[1-benzothiophen-3-ylmethyl(propyl)amino]ethanethioamide.

Molecular Properties

Compound Name2-[1-benzothiophen-3-ylmethyl(propyl)amino]ethanethioamide
PubChem CID63742819
Molecular FormulaC14H18N2S2
Molecular Weight278.45 g/mol
Exact Mass278.09
IUPAC Name2-[1-benzothiophen-3-ylmethyl(propyl)amino]ethanethioamide
SMILESCCCN(CC(N)=S)Cc1csc2ccccc12
InChIInChI=1S/C14H18N2S2/c1-2-7-16(9-14(15)17)8-11-10-18-13-6-4-3-5-12(11)13/h3-6,10H,2,7-9H2,1H3,(H2,15,17)
InChIKeyGGZUXQOWPLOPGH-UHFFFAOYSA-N
XLogP3.40
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.45
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 2-[1-benzothiophen-3-ylmethyl(propyl)amino]ethanethioamide 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

N-(1-benzothiophen-3-ylmethyl)-N-(2-bromoethyl)butan-1-amine
CID 80673329
3-[1-benzothiophen-3-ylmethyl(ethyl)amino]propanenitrile
CID 63744842
2-[[1-benzothiophen-3-ylmethyl(ethyl)amino]methyl]aniline
CID 63737220
[1-benzothiophen-3-ylmethyl(methyl)amino]methanol
CID 115229231
methyl 2-[2-[[(2-amino-2-sulfanylideneethyl)-propylamino]methyl]phenyl]acetate
CID 115462370
methyl 3-[1-benzothiophen-3-ylmethyl(ethyl)amino]propanoate
CID 62111485
2-[1-benzothiophen-3-ylmethyl(prop-2-ynyl)amino]acetic acid
CID 79284223
2-[1-benzothiophen-3-ylmethyl(pentan-3-yl)amino]ethanol
CID 63738491
3-[1-benzothiophen-3-ylmethyl(methyl)amino]propanoic acid;hydrochloride
CID 172907533
N-(1-benzothiophen-3-ylmethyl)-N-methyl-2-oxoacetamide
CID 115166467
2-[[1-benzothiophen-3-ylmethyl(methyl)amino]methyl]butan-1-ol
CID 115250957
2-[[1-benzothiophen-3-ylmethyl(methyl)amino]methyl]aniline
CID 63737039

Frequently Asked Questions

What is the IUPAC name of 2-[1-benzothiophen-3-ylmethyl(propyl)amino]ethanethioamide?
The IUPAC name of 2-[1-benzothiophen-3-ylmethyl(propyl)amino]ethanethioamide (CID 63742819) is 2-[1-benzothiophen-3-ylmethyl(propyl)amino]ethanethioamide.
What is the SMILES notation for 2-[1-benzothiophen-3-ylmethyl(propyl)amino]ethanethioamide?
The canonical SMILES for 2-[1-benzothiophen-3-ylmethyl(propyl)amino]ethanethioamide is CCCN(CC(N)=S)Cc1csc2ccccc12.
What is the InChIKey of 2-[1-benzothiophen-3-ylmethyl(propyl)amino]ethanethioamide?
The InChIKey is GGZUXQOWPLOPGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2S2/c1-2-7-16(9-14(15)17)8-11-10-18-13-6-4-3-5-12(11)13/h3-6,10H,2,7-9H2,1H3,(H2,15,17).
What are the key properties of 2-[1-benzothiophen-3-ylmethyl(propyl)amino]ethanethioamide?
2-[1-benzothiophen-3-ylmethyl(propyl)amino]ethanethioamide has a molecular weight of 278.45 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-benzothiophen-3-ylmethyl(propyl)amino]ethanethioamide is sourced from PubChem (CID 63742819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).