5'-(5-piperidin-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

C24H29F3N4O2S2 — CID 22148008

IUPAC5'-(5-piperidin-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(N4CCCCC4)s3)ccc2C1
InChIInChI=1S/C24H29F3N4O2S2/c25-24(26,27)15-31-14-23(29-35(31,32)33)19-6-7-20(23)12-18-10-17(5-4-16(18)11-19)22-28-13-21(34-22)30-8-2-1-3-9-30/h4-5,10,13,19-20,29H,1-3,6-9,11-12,14-15H2
InChIKeyCNZMCMKRUVIABL-UHFFFAOYSA-N
MW526.65 g/mol
LogP4.38
Rot. Bonds3

About 5'-(5-piperidin-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-piperidin-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 22148008) has the molecular formula C24H29F3N4O2S2 and a molecular weight of 526.65 g/mol. Its IUPAC name is 5'-(5-piperidin-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-piperidin-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 CID22148008
Molecular FormulaC24H29F3N4O2S2
Molecular Weight526.65 g/mol
Exact Mass526.17
IUPAC Name5'-(5-piperidin-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(N4CCCCC4)s3)ccc2C1
InChIInChI=1S/C24H29F3N4O2S2/c25-24(26,27)15-31-14-23(29-35(31,32)33)19-6-7-20(23)12-18-10-17(5-4-16(18)11-19)22-28-13-21(34-22)30-8-2-1-3-9-30/h4-5,10,13,19-20,29H,1-3,6-9,11-12,14-15H2
InChIKeyCNZMCMKRUVIABL-UHFFFAOYSA-N
XLogP4.38
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.65
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5'-(5-piperidin-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-piperidin-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-piperidin-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 22148008) is 5'-(5-piperidin-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-piperidin-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-piperidin-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(N4CCCCC4)s3)ccc2C1.
What is the InChIKey of 5'-(5-piperidin-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 CNZMCMKRUVIABL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29F3N4O2S2/c25-24(26,27)15-31-14-23(29-35(31,32)33)19-6-7-20(23)12-18-10-17(5-4-16(18)11-19)22-28-13-21(34-22)30-8-2-1-3-9-30/h4-5,10,13,19-20,29H,1-3,6-9,11-12,14-15H2.
What are the key properties of 5'-(5-piperidin-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-piperidin-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 526.65 g/mol, XLogP of 4.38, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5'-(5-piperidin-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 22148008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).