2-(2-imino-1,3-thiazolidin-3-yl)-5-methoxyaniline;dihydrochloride

C10H15Cl2N3OS — CID 14666893

IUPAC2-(2-imino-1,3-thiazolidin-3-yl)-5-methoxyaniline;dihydrochloride
SMILESCl.Cl.[H]/N=C1\SCCN1c1ccc(OC)cc1N
InChIInChI=1S/C10H13N3OS.2ClH/c1-14-7-2-3-9(8(11)6-7)13-4-5-15-10(13)12;;/h2-3,6,12H,4-5,11H2,1H3;2*1H/b12-10-;;
InChIKeySNNLALDJSQLIMG-VSXCOVETSA-N
MW296.22 g/mol
LogP2.61
Rot. Bonds2

About 2-(2-imino-1,3-thiazolidin-3-yl)-5-methoxyaniline;dihydrochloride

2-(2-imino-1,3-thiazolidin-3-yl)-5-methoxyaniline;dihydrochloride (PubChem CID 14666893) has the molecular formula C10H15Cl2N3OS and a molecular weight of 296.22 g/mol. Its IUPAC name is 2-(2-imino-1,3-thiazolidin-3-yl)-5-methoxyaniline;dihydrochloride.

Molecular Properties

Compound Name2-(2-imino-1,3-thiazolidin-3-yl)-5-methoxyaniline;dihydrochloride
PubChem CID14666893
Molecular FormulaC10H15Cl2N3OS
Molecular Weight296.22 g/mol
Exact Mass295.03
IUPAC Name2-(2-imino-1,3-thiazolidin-3-yl)-5-methoxyaniline;dihydrochloride
SMILESCl.Cl.[H]/N=C1\SCCN1c1ccc(OC)cc1N
InChIInChI=1S/C10H13N3OS.2ClH/c1-14-7-2-3-9(8(11)6-7)13-4-5-15-10(13)12;;/h2-3,6,12H,4-5,11H2,1H3;2*1H/b12-10-;;
InChIKeySNNLALDJSQLIMG-VSXCOVETSA-N
XLogP2.61
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.22
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-imino-1,3-thiazolidin-3-yl)-5-methoxyaniline;dihydrochloride?
The IUPAC name of 2-(2-imino-1,3-thiazolidin-3-yl)-5-methoxyaniline;dihydrochloride (CID 14666893) is 2-(2-imino-1,3-thiazolidin-3-yl)-5-methoxyaniline;dihydrochloride.
What is the SMILES notation for 2-(2-imino-1,3-thiazolidin-3-yl)-5-methoxyaniline;dihydrochloride?
The canonical SMILES for 2-(2-imino-1,3-thiazolidin-3-yl)-5-methoxyaniline;dihydrochloride is Cl.Cl.[H]/N=C1\SCCN1c1ccc(OC)cc1N.
What is the InChIKey of 2-(2-imino-1,3-thiazolidin-3-yl)-5-methoxyaniline;dihydrochloride?
The InChIKey is SNNLALDJSQLIMG-VSXCOVETSA-N. The full InChI is InChI=1S/C10H13N3OS.2ClH/c1-14-7-2-3-9(8(11)6-7)13-4-5-15-10(13)12;;/h2-3,6,12H,4-5,11H2,1H3;2*1H/b12-10-;;.
What are the key properties of 2-(2-imino-1,3-thiazolidin-3-yl)-5-methoxyaniline;dihydrochloride?
2-(2-imino-1,3-thiazolidin-3-yl)-5-methoxyaniline;dihydrochloride has a molecular weight of 296.22 g/mol, XLogP of 2.61, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-imino-1,3-thiazolidin-3-yl)-5-methoxyaniline;dihydrochloride is sourced from PubChem (CID 14666893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).