1-(2-imino-1,3-thiazolidin-3-yl)-2,3-dihydro-1H-inden-2-ol

C12H14N2OS — CID 3072142

IUPAC1-(2-imino-1,3-thiazolidin-3-yl)-2,3-dihydro-1H-inden-2-ol
SMILES[H]/N=C1\SCCN1C1c2ccccc2CC1O
InChIInChI=1S/C12H14N2OS/c13-12-14(5-6-16-12)11-9-4-2-1-3-8(9)7-10(11)15/h1-4,10-11,13,15H,5-7H2/b13-12-
InChIKeyPABJPHGVZOYYFP-SEYXRHQNSA-N
MW234.32 g/mol
LogP1.63
Rot. Bonds1

About 1-(2-imino-1,3-thiazolidin-3-yl)-2,3-dihydro-1H-inden-2-ol

1-(2-imino-1,3-thiazolidin-3-yl)-2,3-dihydro-1H-inden-2-ol (PubChem CID 3072142) has the molecular formula C12H14N2OS and a molecular weight of 234.32 g/mol. Its IUPAC name is 1-(2-imino-1,3-thiazolidin-3-yl)-2,3-dihydro-1H-inden-2-ol.

Molecular Properties

Compound Name1-(2-imino-1,3-thiazolidin-3-yl)-2,3-dihydro-1H-inden-2-ol
PubChem CID3072142
Molecular FormulaC12H14N2OS
Molecular Weight234.32 g/mol
Exact Mass234.08
IUPAC Name1-(2-imino-1,3-thiazolidin-3-yl)-2,3-dihydro-1H-inden-2-ol
SMILES[H]/N=C1\SCCN1C1c2ccccc2CC1O
InChIInChI=1S/C12H14N2OS/c13-12-14(5-6-16-12)11-9-4-2-1-3-8(9)7-10(11)15/h1-4,10-11,13,15H,5-7H2/b13-12-
InChIKeyPABJPHGVZOYYFP-SEYXRHQNSA-N
XLogP1.63
TPSA47.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-imino-1,3-thiazolidin-3-yl)-2,3-dihydro-1H-inden-2-ol?
The IUPAC name of 1-(2-imino-1,3-thiazolidin-3-yl)-2,3-dihydro-1H-inden-2-ol (CID 3072142) is 1-(2-imino-1,3-thiazolidin-3-yl)-2,3-dihydro-1H-inden-2-ol.
What is the SMILES notation for 1-(2-imino-1,3-thiazolidin-3-yl)-2,3-dihydro-1H-inden-2-ol?
The canonical SMILES for 1-(2-imino-1,3-thiazolidin-3-yl)-2,3-dihydro-1H-inden-2-ol is [H]/N=C1\SCCN1C1c2ccccc2CC1O.
What is the InChIKey of 1-(2-imino-1,3-thiazolidin-3-yl)-2,3-dihydro-1H-inden-2-ol?
The InChIKey is PABJPHGVZOYYFP-SEYXRHQNSA-N. The full InChI is InChI=1S/C12H14N2OS/c13-12-14(5-6-16-12)11-9-4-2-1-3-8(9)7-10(11)15/h1-4,10-11,13,15H,5-7H2/b13-12-.
What are the key properties of 1-(2-imino-1,3-thiazolidin-3-yl)-2,3-dihydro-1H-inden-2-ol?
1-(2-imino-1,3-thiazolidin-3-yl)-2,3-dihydro-1H-inden-2-ol has a molecular weight of 234.32 g/mol, XLogP of 1.63, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-imino-1,3-thiazolidin-3-yl)-2,3-dihydro-1H-inden-2-ol is sourced from PubChem (CID 3072142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).