2-(4-oxo-7-phenyl-2-pyrrolidin-1-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)-N-[4-(trifluoromethyl)phenyl]acetamide

C24H20F3N5O2S — CID 30836490

IUPAC2-(4-oxo-7-phenyl-2-pyrrolidin-1-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cn1nc(-c2ccccc2)c2sc(N3CCCC3)nc2c1=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C24H20F3N5O2S/c25-24(26,27)16-8-10-17(11-9-16)28-18(33)14-32-22(34)20-21(19(30-32)15-6-2-1-3-7-15)35-23(29-20)31-12-4-5-13-31/h1-3,6-11H,4-5,12-14H2,(H,28,33)
InChIKeyQXRNVKQLVPPNLH-UHFFFAOYSA-N
MW499.52 g/mol
LogP4.78
Rot. Bonds5

About 2-(4-oxo-7-phenyl-2-pyrrolidin-1-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)-N-[4-(trifluoromethyl)phenyl]acetamide

2-(4-oxo-7-phenyl-2-pyrrolidin-1-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)-N-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 30836490) has the molecular formula C24H20F3N5O2S and a molecular weight of 499.52 g/mol. Its IUPAC name is 2-(4-oxo-7-phenyl-2-pyrrolidin-1-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)-N-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-oxo-7-phenyl-2-pyrrolidin-1-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID30836490
Molecular FormulaC24H20F3N5O2S
Molecular Weight499.52 g/mol
Exact Mass499.13
IUPAC Name2-(4-oxo-7-phenyl-2-pyrrolidin-1-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cn1nc(-c2ccccc2)c2sc(N3CCCC3)nc2c1=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C24H20F3N5O2S/c25-24(26,27)16-8-10-17(11-9-16)28-18(33)14-32-22(34)20-21(19(30-32)15-6-2-1-3-7-15)35-23(29-20)31-12-4-5-13-31/h1-3,6-11H,4-5,12-14H2,(H,28,33)
InChIKeyQXRNVKQLVPPNLH-UHFFFAOYSA-N
XLogP4.78
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.52
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(4-oxo-7-phenyl-2-pyrrolidin-1-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)-N-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(4-oxo-7-phenyl-2-pyrrolidin-1-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)-N-[4-(trifluoromethyl)phenyl]acetamide (CID 30836490) is 2-(4-oxo-7-phenyl-2-pyrrolidin-1-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)-N-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(4-oxo-7-phenyl-2-pyrrolidin-1-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)-N-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(4-oxo-7-phenyl-2-pyrrolidin-1-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)-N-[4-(trifluoromethyl)phenyl]acetamide is O=C(Cn1nc(-c2ccccc2)c2sc(N3CCCC3)nc2c1=O)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-(4-oxo-7-phenyl-2-pyrrolidin-1-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)-N-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is QXRNVKQLVPPNLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N5O2S/c25-24(26,27)16-8-10-17(11-9-16)28-18(33)14-32-22(34)20-21(19(30-32)15-6-2-1-3-7-15)35-23(29-20)31-12-4-5-13-31/h1-3,6-11H,4-5,12-14H2,(H,28,33).
What are the key properties of 2-(4-oxo-7-phenyl-2-pyrrolidin-1-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)-N-[4-(trifluoromethyl)phenyl]acetamide?
2-(4-oxo-7-phenyl-2-pyrrolidin-1-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)-N-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 499.52 g/mol, XLogP of 4.78, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxo-7-phenyl-2-pyrrolidin-1-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)-N-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 30836490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).