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

C19H18F3N7O2S — CID 146606324

IUPACN-[5-[(1-pyridazin-3-ylpyrrolidin-3-yl)amino]-1,3,4-thiadiazol-2-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide
SMILESO=C(Cc1cccc(OC(F)(F)F)c1)Nc1nnc(NC2CCN(c3cccnn3)C2)s1
InChIInChI=1S/C19H18F3N7O2S/c20-19(21,22)31-14-4-1-3-12(9-14)10-16(30)25-18-28-27-17(32-18)24-13-6-8-29(11-13)15-5-2-7-23-26-15/h1-5,7,9,13H,6,8,10-11H2,(H,24,27)(H,25,28,30)
InChIKeyPJUAYSNLBIAMCP-UHFFFAOYSA-N
MW465.46 g/mol
LogP3.10
Rot. Bonds7

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

N-[5-[(1-pyridazin-3-ylpyrrolidin-3-yl)amino]-1,3,4-thiadiazol-2-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide (PubChem CID 146606324) has the molecular formula C19H18F3N7O2S and a molecular weight of 465.46 g/mol. Its IUPAC name is N-[5-[(1-pyridazin-3-ylpyrrolidin-3-yl)amino]-1,3,4-thiadiazol-2-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound NameN-[5-[(1-pyridazin-3-ylpyrrolidin-3-yl)amino]-1,3,4-thiadiazol-2-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide
PubChem CID146606324
Molecular FormulaC19H18F3N7O2S
Molecular Weight465.46 g/mol
Exact Mass465.12
IUPAC NameN-[5-[(1-pyridazin-3-ylpyrrolidin-3-yl)amino]-1,3,4-thiadiazol-2-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide
SMILESO=C(Cc1cccc(OC(F)(F)F)c1)Nc1nnc(NC2CCN(c3cccnn3)C2)s1
InChIInChI=1S/C19H18F3N7O2S/c20-19(21,22)31-14-4-1-3-12(9-14)10-16(30)25-18-28-27-17(32-18)24-13-6-8-29(11-13)15-5-2-7-23-26-15/h1-5,7,9,13H,6,8,10-11H2,(H,24,27)(H,25,28,30)
InChIKeyPJUAYSNLBIAMCP-UHFFFAOYSA-N
XLogP3.10
TPSA105.16 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.46
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[5-[(1-pyridazin-3-ylpyrrolidin-3-yl)amino]-1,3,4-thiadiazol-2-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

Related Compounds

N-[5-[[(3R)-1-pyridazin-3-ylpyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]-2-[4-[[3-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]acetamide
CID 177337442
N-[5-[[(3R)-1-pyridazin-3-ylpyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]-2-[(3S)-1-[[3-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-yl]acetamide
CID 177337298
3-[1-[[3-(difluoromethoxy)phenyl]methyl]piperidin-4-yl]-N-[5-[[(3R)-1-pyridazin-3-ylpyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]propanamide
CID 177337335
(2R)-2-(dimethylamino)-N-[5-[[(3R)-1-pyridazin-3-ylpyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide
CID 129188069
[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl] N-[5-[[(3R)-1-pyridazin-3-ylpyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]carbamate
CID 177337459
2-[2-[[3-(difluoromethoxy)phenyl]methyl]-2-azaspiro[3.3]heptan-6-yl]-N-[5-[[(3R)-1-pyridazin-3-ylpyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]acetamide
CID 177337321
N-[5-[[(3R)-1-pyridazin-3-ylpyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]-2-[1-[[2-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]acetamide
CID 177337383
(2S)-2-ethoxy-1-[[5-[[(3R)-1-pyridazin-3-ylpyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]amino]-2-[3-(trifluoromethoxy)phenyl]ethanol
CID 130219236
3-[[4-[2-oxo-2-[[5-[[(3R)-1-pyridazin-3-ylpyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]amino]ethyl]piperidin-1-yl]methyl]benzoic acid
CID 177337300
2-(dimethylamino)-N-[5-[[(3R)-1-pyridazin-3-ylpyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]-2-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]acetamide
CID 177337533
(1R)-1-ethoxy-3-[5-[[(3R)-1-pyridazin-3-ylpyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]-1-[3-(trifluoromethoxy)phenyl]propan-2-one;(1S)-1-ethoxy-3-[5-[[(3R)-1-pyridazin-3-ylpyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]-1-[3-(trifluoromethoxy)phenyl]propan-2-one;2-N-[(3R)-1-pyridazin-3-ylpyrrolidin-3-yl]-1,3,4-thiadiazole-2,5-diamine
CID 160849463
2-[(3S)-1-[(3,5-difluorophenyl)methyl]piperidin-3-yl]-N-[5-[[(3R)-1-pyridazin-3-ylpyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]acetamide;hydrochloride
CID 177337378

Frequently Asked Questions

What is the IUPAC name of N-[5-[(1-pyridazin-3-ylpyrrolidin-3-yl)amino]-1,3,4-thiadiazol-2-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide?
The IUPAC name of N-[5-[(1-pyridazin-3-ylpyrrolidin-3-yl)amino]-1,3,4-thiadiazol-2-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide (CID 146606324) is N-[5-[(1-pyridazin-3-ylpyrrolidin-3-yl)amino]-1,3,4-thiadiazol-2-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide.
What is the SMILES notation for N-[5-[(1-pyridazin-3-ylpyrrolidin-3-yl)amino]-1,3,4-thiadiazol-2-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide?
The canonical SMILES for N-[5-[(1-pyridazin-3-ylpyrrolidin-3-yl)amino]-1,3,4-thiadiazol-2-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide is O=C(Cc1cccc(OC(F)(F)F)c1)Nc1nnc(NC2CCN(c3cccnn3)C2)s1.
What is the InChIKey of N-[5-[(1-pyridazin-3-ylpyrrolidin-3-yl)amino]-1,3,4-thiadiazol-2-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide?
The InChIKey is PJUAYSNLBIAMCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N7O2S/c20-19(21,22)31-14-4-1-3-12(9-14)10-16(30)25-18-28-27-17(32-18)24-13-6-8-29(11-13)15-5-2-7-23-26-15/h1-5,7,9,13H,6,8,10-11H2,(H,24,27)(H,25,28,30).
What are the key properties of N-[5-[(1-pyridazin-3-ylpyrrolidin-3-yl)amino]-1,3,4-thiadiazol-2-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide?
N-[5-[(1-pyridazin-3-ylpyrrolidin-3-yl)amino]-1,3,4-thiadiazol-2-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide has a molecular weight of 465.46 g/mol, XLogP of 3.10, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(1-pyridazin-3-ylpyrrolidin-3-yl)amino]-1,3,4-thiadiazol-2-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 146606324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).