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

C20H18N2O3S — CID 666776

IUPAC3-(4-methoxyphenyl)spiro[1,3-thiazolidine-2,3'-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene]-2',4-dione
SMILESCOc1ccc(N2C(=O)CSC23C(=O)N2CCCc4cccc3c42)cc1
InChIInChI=1S/C20H18N2O3S/c1-25-15-9-7-14(8-10-15)22-17(23)12-26-20(22)16-6-2-4-13-5-3-11-21(18(13)16)19(20)24/h2,4,6-10H,3,5,11-12H2,1H3
InChIKeyIBRATCIPRCYTTO-UHFFFAOYSA-N
MW366.44 g/mol
LogP2.92
Rot. Bonds2

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

3-(4-methoxyphenyl)spiro[1,3-thiazolidine-2,3'-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene]-2',4-dione (PubChem CID 666776) has the molecular formula C20H18N2O3S and a molecular weight of 366.44 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)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-methoxyphenyl)spiro[1,3-thiazolidine-2,3'-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene]-2',4-dione
PubChem CID666776
Molecular FormulaC20H18N2O3S
Molecular Weight366.44 g/mol
Exact Mass366.10
IUPAC Name3-(4-methoxyphenyl)spiro[1,3-thiazolidine-2,3'-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene]-2',4-dione
SMILESCOc1ccc(N2C(=O)CSC23C(=O)N2CCCc4cccc3c42)cc1
InChIInChI=1S/C20H18N2O3S/c1-25-15-9-7-14(8-10-15)22-17(23)12-26-20(22)16-6-2-4-13-5-3-11-21(18(13)16)19(20)24/h2,4,6-10H,3,5,11-12H2,1H3
InChIKeyIBRATCIPRCYTTO-UHFFFAOYSA-N
XLogP2.92
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(4-methoxyphenyl)spiro[1,3-thiazolidine-2,3'-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene]-2',4-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)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-methoxyphenyl)spiro[1,3-thiazolidine-2,3'-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene]-2',4-dione (CID 666776) is 3-(4-methoxyphenyl)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-methoxyphenyl)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-methoxyphenyl)spiro[1,3-thiazolidine-2,3'-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene]-2',4-dione is COc1ccc(N2C(=O)CSC23C(=O)N2CCCc4cccc3c42)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)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 IBRATCIPRCYTTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O3S/c1-25-15-9-7-14(8-10-15)22-17(23)12-26-20(22)16-6-2-4-13-5-3-11-21(18(13)16)19(20)24/h2,4,6-10H,3,5,11-12H2,1H3.
What are the key properties of 3-(4-methoxyphenyl)spiro[1,3-thiazolidine-2,3'-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene]-2',4-dione?
3-(4-methoxyphenyl)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 366.44 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)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 666776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).