3-(4-propan-2-ylphenyl)spiro[1,3-thiazolidine-2,3'-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene]-2',4-dione

C22H22N2O2S — CID 4888770

IUPAC3-(4-propan-2-ylphenyl)spiro[1,3-thiazolidine-2,3'-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene]-2',4-dione
SMILESCC(C)c1ccc(N2C(=O)CSC23C(=O)N2CCCc4cccc3c42)cc1
InChIInChI=1S/C22H22N2O2S/c1-14(2)15-8-10-17(11-9-15)24-19(25)13-27-22(24)18-7-3-5-16-6-4-12-23(20(16)18)21(22)26/h3,5,7-11,14H,4,6,12-13H2,1-2H3
InChIKeyAKVHOLZGKSYNKZ-UHFFFAOYSA-N
MW378.50 g/mol
LogP4.04
Rot. Bonds2

About 3-(4-propan-2-ylphenyl)spiro[1,3-thiazolidine-2,3'-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene]-2',4-dione

3-(4-propan-2-ylphenyl)spiro[1,3-thiazolidine-2,3'-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene]-2',4-dione (PubChem CID 4888770) has the molecular formula C22H22N2O2S and a molecular weight of 378.50 g/mol. Its IUPAC name is 3-(4-propan-2-ylphenyl)spiro[1,3-thiazolidine-2,3'-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene]-2',4-dione.

Molecular Properties

Compound Name3-(4-propan-2-ylphenyl)spiro[1,3-thiazolidine-2,3'-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene]-2',4-dione
PubChem CID4888770
Molecular FormulaC22H22N2O2S
Molecular Weight378.50 g/mol
Exact Mass378.14
IUPAC Name3-(4-propan-2-ylphenyl)spiro[1,3-thiazolidine-2,3'-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene]-2',4-dione
SMILESCC(C)c1ccc(N2C(=O)CSC23C(=O)N2CCCc4cccc3c42)cc1
InChIInChI=1S/C22H22N2O2S/c1-14(2)15-8-10-17(11-9-15)24-19(25)13-27-22(24)18-7-3-5-16-6-4-12-23(20(16)18)21(22)26/h3,5,7-11,14H,4,6,12-13H2,1-2H3
InChIKeyAKVHOLZGKSYNKZ-UHFFFAOYSA-N
XLogP4.04
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.50
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(4-propan-2-ylphenyl)spiro[1,3-thiazolidine-2,3'-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene]-2',4-dione 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 3-(4-propan-2-ylphenyl)spiro[1,3-thiazolidine-2,3'-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene]-2',4-dione?
The IUPAC name of 3-(4-propan-2-ylphenyl)spiro[1,3-thiazolidine-2,3'-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene]-2',4-dione (CID 4888770) is 3-(4-propan-2-ylphenyl)spiro[1,3-thiazolidine-2,3'-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene]-2',4-dione.
What is the SMILES notation for 3-(4-propan-2-ylphenyl)spiro[1,3-thiazolidine-2,3'-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene]-2',4-dione?
The canonical SMILES for 3-(4-propan-2-ylphenyl)spiro[1,3-thiazolidine-2,3'-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene]-2',4-dione is CC(C)c1ccc(N2C(=O)CSC23C(=O)N2CCCc4cccc3c42)cc1.
What is the InChIKey of 3-(4-propan-2-ylphenyl)spiro[1,3-thiazolidine-2,3'-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene]-2',4-dione?
The InChIKey is AKVHOLZGKSYNKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O2S/c1-14(2)15-8-10-17(11-9-15)24-19(25)13-27-22(24)18-7-3-5-16-6-4-12-23(20(16)18)21(22)26/h3,5,7-11,14H,4,6,12-13H2,1-2H3.
What are the key properties of 3-(4-propan-2-ylphenyl)spiro[1,3-thiazolidine-2,3'-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene]-2',4-dione?
3-(4-propan-2-ylphenyl)spiro[1,3-thiazolidine-2,3'-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene]-2',4-dione has a molecular weight of 378.50 g/mol, XLogP of 4.04, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-propan-2-ylphenyl)spiro[1,3-thiazolidine-2,3'-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene]-2',4-dione is sourced from PubChem (CID 4888770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).