[2-(3,5-dichloro-2-hydroxyphenyl)-1,3-thiazolidin-4-yl] hydrogen carbonate

C10H9Cl2NO4S — CID 70512452

IUPAC[2-(3,5-dichloro-2-hydroxyphenyl)-1,3-thiazolidin-4-yl] hydrogen carbonate
SMILESO=C(O)OC1CSC(c2cc(Cl)cc(Cl)c2O)N1
InChIInChI=1S/C10H9Cl2NO4S/c11-4-1-5(8(14)6(12)2-4)9-13-7(3-18-9)17-10(15)16/h1-2,7,9,13-14H,3H2,(H,15,16)
InChIKeySLRZPNQHWGFHDD-UHFFFAOYSA-N
MW310.16 g/mol
LogP3.05
Rot. Bonds2

About [2-(3,5-dichloro-2-hydroxyphenyl)-1,3-thiazolidin-4-yl] hydrogen carbonate

[2-(3,5-dichloro-2-hydroxyphenyl)-1,3-thiazolidin-4-yl] hydrogen carbonate (PubChem CID 70512452) has the molecular formula C10H9Cl2NO4S and a molecular weight of 310.16 g/mol. Its IUPAC name is [2-(3,5-dichloro-2-hydroxyphenyl)-1,3-thiazolidin-4-yl] hydrogen carbonate.

Molecular Properties

Compound Name[2-(3,5-dichloro-2-hydroxyphenyl)-1,3-thiazolidin-4-yl] hydrogen carbonate
PubChem CID70512452
Molecular FormulaC10H9Cl2NO4S
Molecular Weight310.16 g/mol
Exact Mass308.96
IUPAC Name[2-(3,5-dichloro-2-hydroxyphenyl)-1,3-thiazolidin-4-yl] hydrogen carbonate
SMILESO=C(O)OC1CSC(c2cc(Cl)cc(Cl)c2O)N1
InChIInChI=1S/C10H9Cl2NO4S/c11-4-1-5(8(14)6(12)2-4)9-13-7(3-18-9)17-10(15)16/h1-2,7,9,13-14H,3H2,(H,15,16)
InChIKeySLRZPNQHWGFHDD-UHFFFAOYSA-N
XLogP3.05
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.16
LogP ≤ 53.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-(3,5-dichloro-2-hydroxyphenyl)-1,3-thiazolidin-4-yl] hydrogen carbonate?
The IUPAC name of [2-(3,5-dichloro-2-hydroxyphenyl)-1,3-thiazolidin-4-yl] hydrogen carbonate (CID 70512452) is [2-(3,5-dichloro-2-hydroxyphenyl)-1,3-thiazolidin-4-yl] hydrogen carbonate.
What is the SMILES notation for [2-(3,5-dichloro-2-hydroxyphenyl)-1,3-thiazolidin-4-yl] hydrogen carbonate?
The canonical SMILES for [2-(3,5-dichloro-2-hydroxyphenyl)-1,3-thiazolidin-4-yl] hydrogen carbonate is O=C(O)OC1CSC(c2cc(Cl)cc(Cl)c2O)N1.
What is the InChIKey of [2-(3,5-dichloro-2-hydroxyphenyl)-1,3-thiazolidin-4-yl] hydrogen carbonate?
The InChIKey is SLRZPNQHWGFHDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2NO4S/c11-4-1-5(8(14)6(12)2-4)9-13-7(3-18-9)17-10(15)16/h1-2,7,9,13-14H,3H2,(H,15,16).
What are the key properties of [2-(3,5-dichloro-2-hydroxyphenyl)-1,3-thiazolidin-4-yl] hydrogen carbonate?
[2-(3,5-dichloro-2-hydroxyphenyl)-1,3-thiazolidin-4-yl] hydrogen carbonate has a molecular weight of 310.16 g/mol, XLogP of 3.05, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,5-dichloro-2-hydroxyphenyl)-1,3-thiazolidin-4-yl] hydrogen carbonate is sourced from PubChem (CID 70512452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).