4-phenyl-1,2-thiazolidine

C9H11NS — CID 91539165

IUPAC4-phenyl-1,2-thiazolidine
SMILESc1ccc(C2CNSC2)cc1
InChIInChI=1S/C9H11NS/c1-2-4-8(5-3-1)9-6-10-11-7-9/h1-5,9-10H,6-7H2
InChIKeyGHCIPZVTFGOGTE-UHFFFAOYSA-N
MW165.26 g/mol
LogP2.02
Rot. Bonds1

About 4-phenyl-1,2-thiazolidine

4-phenyl-1,2-thiazolidine (PubChem CID 91539165) has the molecular formula C9H11NS and a molecular weight of 165.26 g/mol. Its IUPAC name is 4-phenyl-1,2-thiazolidine.

Molecular Properties

Compound Name4-phenyl-1,2-thiazolidine
PubChem CID91539165
Molecular FormulaC9H11NS
Molecular Weight165.26 g/mol
Exact Mass165.06
IUPAC Name4-phenyl-1,2-thiazolidine
SMILESc1ccc(C2CNSC2)cc1
InChIInChI=1S/C9H11NS/c1-2-4-8(5-3-1)9-6-10-11-7-9/h1-5,9-10H,6-7H2
InChIKeyGHCIPZVTFGOGTE-UHFFFAOYSA-N
XLogP2.02
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.26
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-1,2-thiazolidine?
The IUPAC name of 4-phenyl-1,2-thiazolidine (CID 91539165) is 4-phenyl-1,2-thiazolidine.
What is the SMILES notation for 4-phenyl-1,2-thiazolidine?
The canonical SMILES for 4-phenyl-1,2-thiazolidine is c1ccc(C2CNSC2)cc1.
What is the InChIKey of 4-phenyl-1,2-thiazolidine?
The InChIKey is GHCIPZVTFGOGTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NS/c1-2-4-8(5-3-1)9-6-10-11-7-9/h1-5,9-10H,6-7H2.
What are the key properties of 4-phenyl-1,2-thiazolidine?
4-phenyl-1,2-thiazolidine has a molecular weight of 165.26 g/mol, XLogP of 2.02, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-1,2-thiazolidine is sourced from PubChem (CID 91539165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).