N-[6-[1-[5-(2-amino-2-oxoethyl)-1,3,4-thiadiazol-2-yl]pyrrolidin-3-yl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide

C21H20F3N7O3S — CID 154506459

IUPACN-[6-[1-[5-(2-amino-2-oxoethyl)-1,3,4-thiadiazol-2-yl]pyrrolidin-3-yl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide
SMILESNC(=O)Cc1nnc(N2CCC(c3ccc(NC(=O)Cc4cccc(OC(F)(F)F)c4)nn3)C2)s1
InChIInChI=1S/C21H20F3N7O3S/c22-21(23,24)34-14-3-1-2-12(8-14)9-18(33)26-17-5-4-15(27-28-17)13-6-7-31(11-13)20-30-29-19(35-20)10-16(25)32/h1-5,8,13H,6-7,9-11H2,(H2,25,32)(H,26,28,33)
InChIKeyFCAKQHBRLLXHLR-UHFFFAOYSA-N
MW507.50 g/mol
LogP2.43
Rot. Bonds8

About N-[6-[1-[5-(2-amino-2-oxoethyl)-1,3,4-thiadiazol-2-yl]pyrrolidin-3-yl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide

N-[6-[1-[5-(2-amino-2-oxoethyl)-1,3,4-thiadiazol-2-yl]pyrrolidin-3-yl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide (PubChem CID 154506459) has the molecular formula C21H20F3N7O3S and a molecular weight of 507.50 g/mol. Its IUPAC name is N-[6-[1-[5-(2-amino-2-oxoethyl)-1,3,4-thiadiazol-2-yl]pyrrolidin-3-yl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound NameN-[6-[1-[5-(2-amino-2-oxoethyl)-1,3,4-thiadiazol-2-yl]pyrrolidin-3-yl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide
PubChem CID154506459
Molecular FormulaC21H20F3N7O3S
Molecular Weight507.50 g/mol
Exact Mass507.13
IUPAC NameN-[6-[1-[5-(2-amino-2-oxoethyl)-1,3,4-thiadiazol-2-yl]pyrrolidin-3-yl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide
SMILESNC(=O)Cc1nnc(N2CCC(c3ccc(NC(=O)Cc4cccc(OC(F)(F)F)c4)nn3)C2)s1
InChIInChI=1S/C21H20F3N7O3S/c22-21(23,24)34-14-3-1-2-12(8-14)9-18(33)26-17-5-4-15(27-28-17)13-6-7-31(11-13)20-30-29-19(35-20)10-16(25)32/h1-5,8,13H,6-7,9-11H2,(H2,25,32)(H,26,28,33)
InChIKeyFCAKQHBRLLXHLR-UHFFFAOYSA-N
XLogP2.43
TPSA136.22 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.50
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[6-[1-[5-(2-amino-2-oxoethyl)-1,3,4-thiadiazol-2-yl]pyrrolidin-3-yl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide 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 N-[6-[1-[5-(2-amino-2-oxoethyl)-1,3,4-thiadiazol-2-yl]pyrrolidin-3-yl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide?
The IUPAC name of N-[6-[1-[5-(2-amino-2-oxoethyl)-1,3,4-thiadiazol-2-yl]pyrrolidin-3-yl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide (CID 154506459) is N-[6-[1-[5-(2-amino-2-oxoethyl)-1,3,4-thiadiazol-2-yl]pyrrolidin-3-yl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide.
What is the SMILES notation for N-[6-[1-[5-(2-amino-2-oxoethyl)-1,3,4-thiadiazol-2-yl]pyrrolidin-3-yl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide?
The canonical SMILES for N-[6-[1-[5-(2-amino-2-oxoethyl)-1,3,4-thiadiazol-2-yl]pyrrolidin-3-yl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide is NC(=O)Cc1nnc(N2CCC(c3ccc(NC(=O)Cc4cccc(OC(F)(F)F)c4)nn3)C2)s1.
What is the InChIKey of N-[6-[1-[5-(2-amino-2-oxoethyl)-1,3,4-thiadiazol-2-yl]pyrrolidin-3-yl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide?
The InChIKey is FCAKQHBRLLXHLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N7O3S/c22-21(23,24)34-14-3-1-2-12(8-14)9-18(33)26-17-5-4-15(27-28-17)13-6-7-31(11-13)20-30-29-19(35-20)10-16(25)32/h1-5,8,13H,6-7,9-11H2,(H2,25,32)(H,26,28,33).
What are the key properties of N-[6-[1-[5-(2-amino-2-oxoethyl)-1,3,4-thiadiazol-2-yl]pyrrolidin-3-yl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide?
N-[6-[1-[5-(2-amino-2-oxoethyl)-1,3,4-thiadiazol-2-yl]pyrrolidin-3-yl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide has a molecular weight of 507.50 g/mol, XLogP of 2.43, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[1-[5-(2-amino-2-oxoethyl)-1,3,4-thiadiazol-2-yl]pyrrolidin-3-yl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 154506459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).