4,4-dimethyl-2-(2,4,6-trimethoxyphenyl)-1,3-thiazolidine

C14H21NO3S — CID 66229916

IUPAC4,4-dimethyl-2-(2,4,6-trimethoxyphenyl)-1,3-thiazolidine
SMILESCOc1cc(OC)c(C2NC(C)(C)CS2)c(OC)c1
InChIInChI=1S/C14H21NO3S/c1-14(2)8-19-13(15-14)12-10(17-4)6-9(16-3)7-11(12)18-5/h6-7,13,15H,8H2,1-5H3
InChIKeyIUSNTDFADATFIS-UHFFFAOYSA-N
MW283.39 g/mol
LogP2.83
Rot. Bonds4

About 4,4-dimethyl-2-(2,4,6-trimethoxyphenyl)-1,3-thiazolidine

4,4-dimethyl-2-(2,4,6-trimethoxyphenyl)-1,3-thiazolidine (PubChem CID 66229916) has the molecular formula C14H21NO3S and a molecular weight of 283.39 g/mol. Its IUPAC name is 4,4-dimethyl-2-(2,4,6-trimethoxyphenyl)-1,3-thiazolidine.

Molecular Properties

Compound Name4,4-dimethyl-2-(2,4,6-trimethoxyphenyl)-1,3-thiazolidine
PubChem CID66229916
Molecular FormulaC14H21NO3S
Molecular Weight283.39 g/mol
Exact Mass283.12
IUPAC Name4,4-dimethyl-2-(2,4,6-trimethoxyphenyl)-1,3-thiazolidine
SMILESCOc1cc(OC)c(C2NC(C)(C)CS2)c(OC)c1
InChIInChI=1S/C14H21NO3S/c1-14(2)8-19-13(15-14)12-10(17-4)6-9(16-3)7-11(12)18-5/h6-7,13,15H,8H2,1-5H3
InChIKeyIUSNTDFADATFIS-UHFFFAOYSA-N
XLogP2.83
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-(2,4,6-trimethoxyphenyl)-1,3-thiazolidine?
The IUPAC name of 4,4-dimethyl-2-(2,4,6-trimethoxyphenyl)-1,3-thiazolidine (CID 66229916) is 4,4-dimethyl-2-(2,4,6-trimethoxyphenyl)-1,3-thiazolidine.
What is the SMILES notation for 4,4-dimethyl-2-(2,4,6-trimethoxyphenyl)-1,3-thiazolidine?
The canonical SMILES for 4,4-dimethyl-2-(2,4,6-trimethoxyphenyl)-1,3-thiazolidine is COc1cc(OC)c(C2NC(C)(C)CS2)c(OC)c1.
What is the InChIKey of 4,4-dimethyl-2-(2,4,6-trimethoxyphenyl)-1,3-thiazolidine?
The InChIKey is IUSNTDFADATFIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3S/c1-14(2)8-19-13(15-14)12-10(17-4)6-9(16-3)7-11(12)18-5/h6-7,13,15H,8H2,1-5H3.
What are the key properties of 4,4-dimethyl-2-(2,4,6-trimethoxyphenyl)-1,3-thiazolidine?
4,4-dimethyl-2-(2,4,6-trimethoxyphenyl)-1,3-thiazolidine has a molecular weight of 283.39 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-(2,4,6-trimethoxyphenyl)-1,3-thiazolidine is sourced from PubChem (CID 66229916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).