2-(4-chlorophenyl)-2,3-dimethyl-1,3-thiazolidine

C11H14ClNS — CID 3050893

IUPAC2-(4-chlorophenyl)-2,3-dimethyl-1,3-thiazolidine
SMILESCN1CCSC1(C)c1ccc(Cl)cc1
InChIInChI=1S/C11H14ClNS/c1-11(13(2)7-8-14-11)9-3-5-10(12)6-4-9/h3-6H,7-8H2,1-2H3
InChIKeyFRUXFSPQAHGRJJ-UHFFFAOYSA-N
MW227.76 g/mol
LogP3.19
Rot. Bonds1

About 2-(4-chlorophenyl)-2,3-dimethyl-1,3-thiazolidine

2-(4-chlorophenyl)-2,3-dimethyl-1,3-thiazolidine (PubChem CID 3050893) has the molecular formula C11H14ClNS and a molecular weight of 227.76 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-2,3-dimethyl-1,3-thiazolidine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-2,3-dimethyl-1,3-thiazolidine
PubChem CID3050893
Molecular FormulaC11H14ClNS
Molecular Weight227.76 g/mol
Exact Mass227.05
IUPAC Name2-(4-chlorophenyl)-2,3-dimethyl-1,3-thiazolidine
SMILESCN1CCSC1(C)c1ccc(Cl)cc1
InChIInChI=1S/C11H14ClNS/c1-11(13(2)7-8-14-11)9-3-5-10(12)6-4-9/h3-6H,7-8H2,1-2H3
InChIKeyFRUXFSPQAHGRJJ-UHFFFAOYSA-N
XLogP3.19
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.76
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-2,3-dimethyl-1,3-thiazolidine?
The IUPAC name of 2-(4-chlorophenyl)-2,3-dimethyl-1,3-thiazolidine (CID 3050893) is 2-(4-chlorophenyl)-2,3-dimethyl-1,3-thiazolidine.
What is the SMILES notation for 2-(4-chlorophenyl)-2,3-dimethyl-1,3-thiazolidine?
The canonical SMILES for 2-(4-chlorophenyl)-2,3-dimethyl-1,3-thiazolidine is CN1CCSC1(C)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-2,3-dimethyl-1,3-thiazolidine?
The InChIKey is FRUXFSPQAHGRJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNS/c1-11(13(2)7-8-14-11)9-3-5-10(12)6-4-9/h3-6H,7-8H2,1-2H3.
What are the key properties of 2-(4-chlorophenyl)-2,3-dimethyl-1,3-thiazolidine?
2-(4-chlorophenyl)-2,3-dimethyl-1,3-thiazolidine has a molecular weight of 227.76 g/mol, XLogP of 3.19, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-2,3-dimethyl-1,3-thiazolidine is sourced from PubChem (CID 3050893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).