5'-[5-(3,3-difluoropiperidin-1-yl)-1,3-thiazol-2-yl]-2-(2,2,2-trifluoroethyl)spiro[1,2,5-thiadiazolidine-4,13'-tricyclo[8.2.1.03,8]trideca-3(8),4,6-triene] 1,1-dioxide

C24H27F5N4O2S2 — CID 22148021

IUPAC5'-[5-(3,3-difluoropiperidin-1-yl)-1,3-thiazol-2-yl]-2-(2,2,2-trifluoroethyl)spiro[1,2,5-thiadiazolidine-4,13'-tricyclo[8.2.1.03,8]trideca-3(8),4,6-triene] 1,1-dioxide
SMILESO=S1(=O)NC2(CN1CC(F)(F)F)C1CCC2Cc2cc(-c3ncc(N4CCCC(F)(F)C4)s3)ccc2C1
InChIInChI=1S/C24H27F5N4O2S2/c25-22(26)6-1-7-32(12-22)20-11-30-21(36-20)16-3-2-15-9-18-4-5-19(10-17(15)8-16)23(18)13-33(14-24(27,28)29)37(34,35)31-23/h2-3,8,11,18-19,31H,1,4-7,9-10,12-14H2
InChIKeyIFOFABGJQWQZJL-UHFFFAOYSA-N
MW562.63 g/mol
LogP4.62
Rot. Bonds3

About 5'-[5-(3,3-difluoropiperidin-1-yl)-1,3-thiazol-2-yl]-2-(2,2,2-trifluoroethyl)spiro[1,2,5-thiadiazolidine-4,13'-tricyclo[8.2.1.03,8]trideca-3(8),4,6-triene] 1,1-dioxide

5'-[5-(3,3-difluoropiperidin-1-yl)-1,3-thiazol-2-yl]-2-(2,2,2-trifluoroethyl)spiro[1,2,5-thiadiazolidine-4,13'-tricyclo[8.2.1.03,8]trideca-3(8),4,6-triene] 1,1-dioxide (PubChem CID 22148021) has the molecular formula C24H27F5N4O2S2 and a molecular weight of 562.63 g/mol. Its IUPAC name is 5'-[5-(3,3-difluoropiperidin-1-yl)-1,3-thiazol-2-yl]-2-(2,2,2-trifluoroethyl)spiro[1,2,5-thiadiazolidine-4,13'-tricyclo[8.2.1.03,8]trideca-3(8),4,6-triene] 1,1-dioxide.

Molecular Properties

Compound Name5'-[5-(3,3-difluoropiperidin-1-yl)-1,3-thiazol-2-yl]-2-(2,2,2-trifluoroethyl)spiro[1,2,5-thiadiazolidine-4,13'-tricyclo[8.2.1.03,8]trideca-3(8),4,6-triene] 1,1-dioxide
PubChem CID22148021
Molecular FormulaC24H27F5N4O2S2
Molecular Weight562.63 g/mol
Exact Mass562.15
IUPAC Name5'-[5-(3,3-difluoropiperidin-1-yl)-1,3-thiazol-2-yl]-2-(2,2,2-trifluoroethyl)spiro[1,2,5-thiadiazolidine-4,13'-tricyclo[8.2.1.03,8]trideca-3(8),4,6-triene] 1,1-dioxide
SMILESO=S1(=O)NC2(CN1CC(F)(F)F)C1CCC2Cc2cc(-c3ncc(N4CCCC(F)(F)C4)s3)ccc2C1
InChIInChI=1S/C24H27F5N4O2S2/c25-22(26)6-1-7-32(12-22)20-11-30-21(36-20)16-3-2-15-9-18-4-5-19(10-17(15)8-16)23(18)13-33(14-24(27,28)29)37(34,35)31-23/h2-3,8,11,18-19,31H,1,4-7,9-10,12-14H2
InChIKeyIFOFABGJQWQZJL-UHFFFAOYSA-N
XLogP4.62
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500562.63
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5'-[5-(3,3-difluoropiperidin-1-yl)-1,3-thiazol-2-yl]-2-(2,2,2-trifluoroethyl)spiro[1,2,5-thiadiazolidine-4,13'-tricyclo[8.2.1.03,8]trideca-3(8),4,6-triene] 1,1-dioxide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5'-[5-(3,3-difluoropiperidin-1-yl)-1,3-thiazol-2-yl]-2-(2,2,2-trifluoroethyl)spiro[1,2,5-thiadiazolidine-4,13'-tricyclo[8.2.1.03,8]trideca-3(8),4,6-triene] 1,1-dioxide?
The IUPAC name of 5'-[5-(3,3-difluoropiperidin-1-yl)-1,3-thiazol-2-yl]-2-(2,2,2-trifluoroethyl)spiro[1,2,5-thiadiazolidine-4,13'-tricyclo[8.2.1.03,8]trideca-3(8),4,6-triene] 1,1-dioxide (CID 22148021) is 5'-[5-(3,3-difluoropiperidin-1-yl)-1,3-thiazol-2-yl]-2-(2,2,2-trifluoroethyl)spiro[1,2,5-thiadiazolidine-4,13'-tricyclo[8.2.1.03,8]trideca-3(8),4,6-triene] 1,1-dioxide.
What is the SMILES notation for 5'-[5-(3,3-difluoropiperidin-1-yl)-1,3-thiazol-2-yl]-2-(2,2,2-trifluoroethyl)spiro[1,2,5-thiadiazolidine-4,13'-tricyclo[8.2.1.03,8]trideca-3(8),4,6-triene] 1,1-dioxide?
The canonical SMILES for 5'-[5-(3,3-difluoropiperidin-1-yl)-1,3-thiazol-2-yl]-2-(2,2,2-trifluoroethyl)spiro[1,2,5-thiadiazolidine-4,13'-tricyclo[8.2.1.03,8]trideca-3(8),4,6-triene] 1,1-dioxide is O=S1(=O)NC2(CN1CC(F)(F)F)C1CCC2Cc2cc(-c3ncc(N4CCCC(F)(F)C4)s3)ccc2C1.
What is the InChIKey of 5'-[5-(3,3-difluoropiperidin-1-yl)-1,3-thiazol-2-yl]-2-(2,2,2-trifluoroethyl)spiro[1,2,5-thiadiazolidine-4,13'-tricyclo[8.2.1.03,8]trideca-3(8),4,6-triene] 1,1-dioxide?
The InChIKey is IFOFABGJQWQZJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F5N4O2S2/c25-22(26)6-1-7-32(12-22)20-11-30-21(36-20)16-3-2-15-9-18-4-5-19(10-17(15)8-16)23(18)13-33(14-24(27,28)29)37(34,35)31-23/h2-3,8,11,18-19,31H,1,4-7,9-10,12-14H2.
What are the key properties of 5'-[5-(3,3-difluoropiperidin-1-yl)-1,3-thiazol-2-yl]-2-(2,2,2-trifluoroethyl)spiro[1,2,5-thiadiazolidine-4,13'-tricyclo[8.2.1.03,8]trideca-3(8),4,6-triene] 1,1-dioxide?
5'-[5-(3,3-difluoropiperidin-1-yl)-1,3-thiazol-2-yl]-2-(2,2,2-trifluoroethyl)spiro[1,2,5-thiadiazolidine-4,13'-tricyclo[8.2.1.03,8]trideca-3(8),4,6-triene] 1,1-dioxide has a molecular weight of 562.63 g/mol, XLogP of 4.62, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5'-[5-(3,3-difluoropiperidin-1-yl)-1,3-thiazol-2-yl]-2-(2,2,2-trifluoroethyl)spiro[1,2,5-thiadiazolidine-4,13'-tricyclo[8.2.1.03,8]trideca-3(8),4,6-triene] 1,1-dioxide is sourced from PubChem (CID 22148021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).