2-thiophen-3-yl-1,3-dihydroisoindol-5-amine

C12H12N2S — CID 66350206

IUPAC2-thiophen-3-yl-1,3-dihydroisoindol-5-amine
SMILESNc1ccc2c(c1)CN(c1ccsc1)C2
InChIInChI=1S/C12H12N2S/c13-11-2-1-9-6-14(7-10(9)5-11)12-3-4-15-8-12/h1-5,8H,6-7,13H2
InChIKeyJCUWRVCNJHDMAT-UHFFFAOYSA-N
MW216.31 g/mol
LogP2.85
Rot. Bonds1

About 2-thiophen-3-yl-1,3-dihydroisoindol-5-amine

2-thiophen-3-yl-1,3-dihydroisoindol-5-amine (PubChem CID 66350206) has the molecular formula C12H12N2S and a molecular weight of 216.31 g/mol. Its IUPAC name is 2-thiophen-3-yl-1,3-dihydroisoindol-5-amine.

Molecular Properties

Compound Name2-thiophen-3-yl-1,3-dihydroisoindol-5-amine
PubChem CID66350206
Molecular FormulaC12H12N2S
Molecular Weight216.31 g/mol
Exact Mass216.07
IUPAC Name2-thiophen-3-yl-1,3-dihydroisoindol-5-amine
SMILESNc1ccc2c(c1)CN(c1ccsc1)C2
InChIInChI=1S/C12H12N2S/c13-11-2-1-9-6-14(7-10(9)5-11)12-3-4-15-8-12/h1-5,8H,6-7,13H2
InChIKeyJCUWRVCNJHDMAT-UHFFFAOYSA-N
XLogP2.85
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.31
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-thiophen-3-yl-1,3-dihydroisoindol-5-amine?
The IUPAC name of 2-thiophen-3-yl-1,3-dihydroisoindol-5-amine (CID 66350206) is 2-thiophen-3-yl-1,3-dihydroisoindol-5-amine.
What is the SMILES notation for 2-thiophen-3-yl-1,3-dihydroisoindol-5-amine?
The canonical SMILES for 2-thiophen-3-yl-1,3-dihydroisoindol-5-amine is Nc1ccc2c(c1)CN(c1ccsc1)C2.
What is the InChIKey of 2-thiophen-3-yl-1,3-dihydroisoindol-5-amine?
The InChIKey is JCUWRVCNJHDMAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2S/c13-11-2-1-9-6-14(7-10(9)5-11)12-3-4-15-8-12/h1-5,8H,6-7,13H2.
What are the key properties of 2-thiophen-3-yl-1,3-dihydroisoindol-5-amine?
2-thiophen-3-yl-1,3-dihydroisoindol-5-amine has a molecular weight of 216.31 g/mol, XLogP of 2.85, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-3-yl-1,3-dihydroisoindol-5-amine is sourced from PubChem (CID 66350206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).