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

C12H17NS — CID 66230622

IUPAC4,4-dimethyl-2-(3-methylphenyl)-1,3-thiazolidine
SMILESCc1cccc(C2NC(C)(C)CS2)c1
InChIInChI=1S/C12H17NS/c1-9-5-4-6-10(7-9)11-13-12(2,3)8-14-11/h4-7,11,13H,8H2,1-3H3
InChIKeyWYIMYTFXOBFPAO-UHFFFAOYSA-N
MW207.34 g/mol
LogP3.11
Rot. Bonds1

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

4,4-dimethyl-2-(3-methylphenyl)-1,3-thiazolidine (PubChem CID 66230622) has the molecular formula C12H17NS and a molecular weight of 207.34 g/mol. Its IUPAC name is 4,4-dimethyl-2-(3-methylphenyl)-1,3-thiazolidine.

Molecular Properties

Compound Name4,4-dimethyl-2-(3-methylphenyl)-1,3-thiazolidine
PubChem CID66230622
Molecular FormulaC12H17NS
Molecular Weight207.34 g/mol
Exact Mass207.11
IUPAC Name4,4-dimethyl-2-(3-methylphenyl)-1,3-thiazolidine
SMILESCc1cccc(C2NC(C)(C)CS2)c1
InChIInChI=1S/C12H17NS/c1-9-5-4-6-10(7-9)11-13-12(2,3)8-14-11/h4-7,11,13H,8H2,1-3H3
InChIKeyWYIMYTFXOBFPAO-UHFFFAOYSA-N
XLogP3.11
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.34
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-(3-methylphenyl)-1,3-thiazolidine?
The IUPAC name of 4,4-dimethyl-2-(3-methylphenyl)-1,3-thiazolidine (CID 66230622) is 4,4-dimethyl-2-(3-methylphenyl)-1,3-thiazolidine.
What is the SMILES notation for 4,4-dimethyl-2-(3-methylphenyl)-1,3-thiazolidine?
The canonical SMILES for 4,4-dimethyl-2-(3-methylphenyl)-1,3-thiazolidine is Cc1cccc(C2NC(C)(C)CS2)c1.
What is the InChIKey of 4,4-dimethyl-2-(3-methylphenyl)-1,3-thiazolidine?
The InChIKey is WYIMYTFXOBFPAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NS/c1-9-5-4-6-10(7-9)11-13-12(2,3)8-14-11/h4-7,11,13H,8H2,1-3H3.
What are the key properties of 4,4-dimethyl-2-(3-methylphenyl)-1,3-thiazolidine?
4,4-dimethyl-2-(3-methylphenyl)-1,3-thiazolidine has a molecular weight of 207.34 g/mol, XLogP of 3.11, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-(3-methylphenyl)-1,3-thiazolidine is sourced from PubChem (CID 66230622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).