2-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-1-(2,3-dihydro-1H-inden-5-yl)guanidine

C19H21N3S — CID 122096821

IUPAC2-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-1-(2,3-dihydro-1H-inden-5-yl)guanidine
SMILESN/C(=N\CC1CSc2ccccc21)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C19H21N3S/c20-19(22-16-9-8-13-4-3-5-14(13)10-16)21-11-15-12-23-18-7-2-1-6-17(15)18/h1-2,6-10,15H,3-5,11-12H2,(H3,20,21,22)
InChIKeyUGVDKHUTGHZRSO-UHFFFAOYSA-N
MW323.46 g/mol
LogP3.79
Rot. Bonds3

About 2-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-1-(2,3-dihydro-1H-inden-5-yl)guanidine

2-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-1-(2,3-dihydro-1H-inden-5-yl)guanidine (PubChem CID 122096821) has the molecular formula C19H21N3S and a molecular weight of 323.46 g/mol. Its IUPAC name is 2-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-1-(2,3-dihydro-1H-inden-5-yl)guanidine.

Molecular Properties

Compound Name2-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-1-(2,3-dihydro-1H-inden-5-yl)guanidine
PubChem CID122096821
Molecular FormulaC19H21N3S
Molecular Weight323.46 g/mol
Exact Mass323.15
IUPAC Name2-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-1-(2,3-dihydro-1H-inden-5-yl)guanidine
SMILESN/C(=N\CC1CSc2ccccc21)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C19H21N3S/c20-19(22-16-9-8-13-4-3-5-14(13)10-16)21-11-15-12-23-18-7-2-1-6-17(15)18/h1-2,6-10,15H,3-5,11-12H2,(H3,20,21,22)
InChIKeyUGVDKHUTGHZRSO-UHFFFAOYSA-N
XLogP3.79
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.46
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-1-(2,3-dihydro-1H-inden-5-yl)guanidine 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

1-(2,3-dihydro-1H-inden-5-yl)-2-[(2-phenylcyclopropyl)methyl]guanidine;hydroiodide
CID 111810583
2-benzyl-1-(2,3-dihydro-1H-inden-5-yl)guanidine;hydroiodide
CID 111022842
1-(2,3-dihydro-1H-inden-5-yl)-2-(oxan-4-ylmethyl)guanidine
CID 119118923
2-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-1-[2-(methoxymethyl)phenyl]guanidine
CID 122096811
2-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-1-(2-phenylethyl)guanidine
CID 122096836
1-(2,3-dihydro-1H-inden-5-yl)-2-[(1-methylpiperidin-4-yl)methyl]guanidine
CID 111086787
2-[[(1R,2S)-2-cyclopropylcyclopropyl]methyl]-1-(2,3-dihydro-1H-inden-5-yl)guanidine
CID 122098172
1-(2,3-dihydro-1H-inden-5-yl)-2-(oxan-2-ylmethyl)guanidine
CID 119120023
2-(2-cyclopropylethyl)-1-(2,3-dihydro-1H-inden-5-yl)guanidine
CID 111814632
1-(2,3-dihydro-1H-inden-5-yl)-2-[(5-methyloxolan-2-yl)methyl]guanidine
CID 122098481
1-(2,3-dihydro-1H-inden-5-yl)-2-(1H-indol-2-ylmethyl)guanidine
CID 111087924
1-(2,3-dihydro-1H-inden-5-yl)-2-[(4-phenyl-1,3-thiazol-2-yl)methyl]guanidine
CID 111046213

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-1-(2,3-dihydro-1H-inden-5-yl)guanidine?
The IUPAC name of 2-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-1-(2,3-dihydro-1H-inden-5-yl)guanidine (CID 122096821) is 2-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-1-(2,3-dihydro-1H-inden-5-yl)guanidine.
What is the SMILES notation for 2-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-1-(2,3-dihydro-1H-inden-5-yl)guanidine?
The canonical SMILES for 2-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-1-(2,3-dihydro-1H-inden-5-yl)guanidine is N/C(=N\CC1CSc2ccccc21)Nc1ccc2c(c1)CCC2.
What is the InChIKey of 2-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-1-(2,3-dihydro-1H-inden-5-yl)guanidine?
The InChIKey is UGVDKHUTGHZRSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3S/c20-19(22-16-9-8-13-4-3-5-14(13)10-16)21-11-15-12-23-18-7-2-1-6-17(15)18/h1-2,6-10,15H,3-5,11-12H2,(H3,20,21,22).
What are the key properties of 2-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-1-(2,3-dihydro-1H-inden-5-yl)guanidine?
2-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-1-(2,3-dihydro-1H-inden-5-yl)guanidine has a molecular weight of 323.46 g/mol, XLogP of 3.79, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-1-(2,3-dihydro-1H-inden-5-yl)guanidine is sourced from PubChem (CID 122096821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).