5-chloro-3-methyl-2-phenyl-1,3-thiazolidine

C10H12ClNS — CID 174266525

IUPAC5-chloro-3-methyl-2-phenyl-1,3-thiazolidine
SMILESCN1CC(Cl)SC1c1ccccc1
InChIInChI=1S/C10H12ClNS/c1-12-7-9(11)13-10(12)8-5-3-2-4-6-8/h2-6,9-10H,7H2,1H3
InChIKeyQSYFRIHVFOVIKN-UHFFFAOYSA-N
MW213.73 g/mol
LogP2.93
Rot. Bonds1

About 5-chloro-3-methyl-2-phenyl-1,3-thiazolidine

5-chloro-3-methyl-2-phenyl-1,3-thiazolidine (PubChem CID 174266525) has the molecular formula C10H12ClNS and a molecular weight of 213.73 g/mol. Its IUPAC name is 5-chloro-3-methyl-2-phenyl-1,3-thiazolidine.

Molecular Properties

Compound Name5-chloro-3-methyl-2-phenyl-1,3-thiazolidine
PubChem CID174266525
Molecular FormulaC10H12ClNS
Molecular Weight213.73 g/mol
Exact Mass213.04
IUPAC Name5-chloro-3-methyl-2-phenyl-1,3-thiazolidine
SMILESCN1CC(Cl)SC1c1ccccc1
InChIInChI=1S/C10H12ClNS/c1-12-7-9(11)13-10(12)8-5-3-2-4-6-8/h2-6,9-10H,7H2,1H3
InChIKeyQSYFRIHVFOVIKN-UHFFFAOYSA-N
XLogP2.93
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.73
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-methyl-2-phenyl-1,3-thiazolidine?
The IUPAC name of 5-chloro-3-methyl-2-phenyl-1,3-thiazolidine (CID 174266525) is 5-chloro-3-methyl-2-phenyl-1,3-thiazolidine.
What is the SMILES notation for 5-chloro-3-methyl-2-phenyl-1,3-thiazolidine?
The canonical SMILES for 5-chloro-3-methyl-2-phenyl-1,3-thiazolidine is CN1CC(Cl)SC1c1ccccc1.
What is the InChIKey of 5-chloro-3-methyl-2-phenyl-1,3-thiazolidine?
The InChIKey is QSYFRIHVFOVIKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNS/c1-12-7-9(11)13-10(12)8-5-3-2-4-6-8/h2-6,9-10H,7H2,1H3.
What are the key properties of 5-chloro-3-methyl-2-phenyl-1,3-thiazolidine?
5-chloro-3-methyl-2-phenyl-1,3-thiazolidine has a molecular weight of 213.73 g/mol, XLogP of 2.93, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-methyl-2-phenyl-1,3-thiazolidine is sourced from PubChem (CID 174266525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).