2,4-dimethyl-6-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)-1,3-benzothiazole

C16H21NO2S — CID 175152052

IUPAC2,4-dimethyl-6-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)-1,3-benzothiazole
SMILESCc1nc2c(C)cc(C3OC(C)(C)C(C)(C)O3)cc2s1
InChIInChI=1S/C16H21NO2S/c1-9-7-11(8-12-13(9)17-10(2)20-12)14-18-15(3,4)16(5,6)19-14/h7-8,14H,1-6H3
InChIKeySDVCZRKIJMEVFL-UHFFFAOYSA-N
MW291.42 g/mol
LogP4.52
Rot. Bonds1

About 2,4-dimethyl-6-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)-1,3-benzothiazole

2,4-dimethyl-6-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)-1,3-benzothiazole (PubChem CID 175152052) has the molecular formula C16H21NO2S and a molecular weight of 291.42 g/mol. Its IUPAC name is 2,4-dimethyl-6-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)-1,3-benzothiazole.

Molecular Properties

Compound Name2,4-dimethyl-6-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)-1,3-benzothiazole
PubChem CID175152052
Molecular FormulaC16H21NO2S
Molecular Weight291.42 g/mol
Exact Mass291.13
IUPAC Name2,4-dimethyl-6-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)-1,3-benzothiazole
SMILESCc1nc2c(C)cc(C3OC(C)(C)C(C)(C)O3)cc2s1
InChIInChI=1S/C16H21NO2S/c1-9-7-11(8-12-13(9)17-10(2)20-12)14-18-15(3,4)16(5,6)19-14/h7-8,14H,1-6H3
InChIKeySDVCZRKIJMEVFL-UHFFFAOYSA-N
XLogP4.52
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2,4-dimethyl-6-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)-1,3-benzothiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-6-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)-1,3-benzothiazole?
The IUPAC name of 2,4-dimethyl-6-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)-1,3-benzothiazole (CID 175152052) is 2,4-dimethyl-6-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)-1,3-benzothiazole.
What is the SMILES notation for 2,4-dimethyl-6-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)-1,3-benzothiazole?
The canonical SMILES for 2,4-dimethyl-6-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)-1,3-benzothiazole is Cc1nc2c(C)cc(C3OC(C)(C)C(C)(C)O3)cc2s1.
What is the InChIKey of 2,4-dimethyl-6-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)-1,3-benzothiazole?
The InChIKey is SDVCZRKIJMEVFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2S/c1-9-7-11(8-12-13(9)17-10(2)20-12)14-18-15(3,4)16(5,6)19-14/h7-8,14H,1-6H3.
What are the key properties of 2,4-dimethyl-6-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)-1,3-benzothiazole?
2,4-dimethyl-6-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)-1,3-benzothiazole has a molecular weight of 291.42 g/mol, XLogP of 4.52, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-6-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)-1,3-benzothiazole is sourced from PubChem (CID 175152052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).