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

C13H19NS — CID 66227818

IUPAC2-(3,4-dimethylphenyl)-4,4-dimethyl-1,3-thiazolidine
SMILESCc1ccc(C2NC(C)(C)CS2)cc1C
InChIInChI=1S/C13H19NS/c1-9-5-6-11(7-10(9)2)12-14-13(3,4)8-15-12/h5-7,12,14H,8H2,1-4H3
InChIKeyOSIZFKSNZJDBOQ-UHFFFAOYSA-N
MW221.37 g/mol
LogP3.42
Rot. Bonds1

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

2-(3,4-dimethylphenyl)-4,4-dimethyl-1,3-thiazolidine (PubChem CID 66227818) has the molecular formula C13H19NS and a molecular weight of 221.37 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)-4,4-dimethyl-1,3-thiazolidine.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)-4,4-dimethyl-1,3-thiazolidine
PubChem CID66227818
Molecular FormulaC13H19NS
Molecular Weight221.37 g/mol
Exact Mass221.12
IUPAC Name2-(3,4-dimethylphenyl)-4,4-dimethyl-1,3-thiazolidine
SMILESCc1ccc(C2NC(C)(C)CS2)cc1C
InChIInChI=1S/C13H19NS/c1-9-5-6-11(7-10(9)2)12-14-13(3,4)8-15-12/h5-7,12,14H,8H2,1-4H3
InChIKeyOSIZFKSNZJDBOQ-UHFFFAOYSA-N
XLogP3.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.37
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)-4,4-dimethyl-1,3-thiazolidine?
The IUPAC name of 2-(3,4-dimethylphenyl)-4,4-dimethyl-1,3-thiazolidine (CID 66227818) is 2-(3,4-dimethylphenyl)-4,4-dimethyl-1,3-thiazolidine.
What is the SMILES notation for 2-(3,4-dimethylphenyl)-4,4-dimethyl-1,3-thiazolidine?
The canonical SMILES for 2-(3,4-dimethylphenyl)-4,4-dimethyl-1,3-thiazolidine is Cc1ccc(C2NC(C)(C)CS2)cc1C.
What is the InChIKey of 2-(3,4-dimethylphenyl)-4,4-dimethyl-1,3-thiazolidine?
The InChIKey is OSIZFKSNZJDBOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NS/c1-9-5-6-11(7-10(9)2)12-14-13(3,4)8-15-12/h5-7,12,14H,8H2,1-4H3.
What are the key properties of 2-(3,4-dimethylphenyl)-4,4-dimethyl-1,3-thiazolidine?
2-(3,4-dimethylphenyl)-4,4-dimethyl-1,3-thiazolidine has a molecular weight of 221.37 g/mol, XLogP of 3.42, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)-4,4-dimethyl-1,3-thiazolidine is sourced from PubChem (CID 66227818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).