2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-4,4-dimethyl-1,3-thiazolidine

C15H21NOS — CID 66228757

IUPAC2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-4,4-dimethyl-1,3-thiazolidine
SMILESCC1(C)CSC(c2cccc3c2OC(C)(C)C3)N1
InChIInChI=1S/C15H21NOS/c1-14(2)9-18-13(16-14)11-7-5-6-10-8-15(3,4)17-12(10)11/h5-7,13,16H,8-9H2,1-4H3
InChIKeyQGZBTZKETMSXDZ-UHFFFAOYSA-N
MW263.41 g/mol
LogP3.51
Rot. Bonds1

About 2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-4,4-dimethyl-1,3-thiazolidine

2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-4,4-dimethyl-1,3-thiazolidine (PubChem CID 66228757) has the molecular formula C15H21NOS and a molecular weight of 263.41 g/mol. Its IUPAC name is 2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-4,4-dimethyl-1,3-thiazolidine.

Molecular Properties

Compound Name2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-4,4-dimethyl-1,3-thiazolidine
PubChem CID66228757
Molecular FormulaC15H21NOS
Molecular Weight263.41 g/mol
Exact Mass263.13
IUPAC Name2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-4,4-dimethyl-1,3-thiazolidine
SMILESCC1(C)CSC(c2cccc3c2OC(C)(C)C3)N1
InChIInChI=1S/C15H21NOS/c1-14(2)9-18-13(16-14)11-7-5-6-10-8-15(3,4)17-12(10)11/h5-7,13,16H,8-9H2,1-4H3
InChIKeyQGZBTZKETMSXDZ-UHFFFAOYSA-N
XLogP3.51
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-4,4-dimethyl-1,3-thiazolidine?
The IUPAC name of 2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-4,4-dimethyl-1,3-thiazolidine (CID 66228757) is 2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-4,4-dimethyl-1,3-thiazolidine.
What is the SMILES notation for 2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-4,4-dimethyl-1,3-thiazolidine?
The canonical SMILES for 2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-4,4-dimethyl-1,3-thiazolidine is CC1(C)CSC(c2cccc3c2OC(C)(C)C3)N1.
What is the InChIKey of 2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-4,4-dimethyl-1,3-thiazolidine?
The InChIKey is QGZBTZKETMSXDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NOS/c1-14(2)9-18-13(16-14)11-7-5-6-10-8-15(3,4)17-12(10)11/h5-7,13,16H,8-9H2,1-4H3.
What are the key properties of 2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-4,4-dimethyl-1,3-thiazolidine?
2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-4,4-dimethyl-1,3-thiazolidine has a molecular weight of 263.41 g/mol, XLogP of 3.51, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-4,4-dimethyl-1,3-thiazolidine is sourced from PubChem (CID 66228757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).