N-[6-[3-(5-acetamido-1,3,4-thiadiazol-2-yl)cyclohexyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide

C23H23F3N6O3S — CID 175828441

IUPACN-[6-[3-(5-acetamido-1,3,4-thiadiazol-2-yl)cyclohexyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide
SMILESCC(=O)Nc1nnc(C2CCCC(c3ccc(NC(=O)Cc4cccc(OC(F)(F)F)c4)nn3)C2)s1
InChIInChI=1S/C23H23F3N6O3S/c1-13(33)27-22-32-31-21(36-22)16-6-3-5-15(12-16)18-8-9-19(30-29-18)28-20(34)11-14-4-2-7-17(10-14)35-23(24,25)26/h2,4,7-10,15-16H,3,5-6,11-12H2,1H3,(H,27,32,33)(H,28,30,34)
InChIKeyXUUOSMVVOUWVHG-UHFFFAOYSA-N
MW520.54 g/mol
LogP4.81
Rot. Bonds7

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

N-[6-[3-(5-acetamido-1,3,4-thiadiazol-2-yl)cyclohexyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide (PubChem CID 175828441) has the molecular formula C23H23F3N6O3S and a molecular weight of 520.54 g/mol. Its IUPAC name is N-[6-[3-(5-acetamido-1,3,4-thiadiazol-2-yl)cyclohexyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound NameN-[6-[3-(5-acetamido-1,3,4-thiadiazol-2-yl)cyclohexyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide
PubChem CID175828441
Molecular FormulaC23H23F3N6O3S
Molecular Weight520.54 g/mol
Exact Mass520.15
IUPAC NameN-[6-[3-(5-acetamido-1,3,4-thiadiazol-2-yl)cyclohexyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide
SMILESCC(=O)Nc1nnc(C2CCCC(c3ccc(NC(=O)Cc4cccc(OC(F)(F)F)c4)nn3)C2)s1
InChIInChI=1S/C23H23F3N6O3S/c1-13(33)27-22-32-31-21(36-22)16-6-3-5-15(12-16)18-8-9-19(30-29-18)28-20(34)11-14-4-2-7-17(10-14)35-23(24,25)26/h2,4,7-10,15-16H,3,5-6,11-12H2,1H3,(H,27,32,33)(H,28,30,34)
InChIKeyXUUOSMVVOUWVHG-UHFFFAOYSA-N
XLogP4.81
TPSA118.99 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.54
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[6-[3-(5-acetamido-1,3,4-thiadiazol-2-yl)cyclohexyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide?
The IUPAC name of N-[6-[3-(5-acetamido-1,3,4-thiadiazol-2-yl)cyclohexyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide (CID 175828441) is N-[6-[3-(5-acetamido-1,3,4-thiadiazol-2-yl)cyclohexyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide.
What is the SMILES notation for N-[6-[3-(5-acetamido-1,3,4-thiadiazol-2-yl)cyclohexyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide?
The canonical SMILES for N-[6-[3-(5-acetamido-1,3,4-thiadiazol-2-yl)cyclohexyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide is CC(=O)Nc1nnc(C2CCCC(c3ccc(NC(=O)Cc4cccc(OC(F)(F)F)c4)nn3)C2)s1.
What is the InChIKey of N-[6-[3-(5-acetamido-1,3,4-thiadiazol-2-yl)cyclohexyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide?
The InChIKey is XUUOSMVVOUWVHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F3N6O3S/c1-13(33)27-22-32-31-21(36-22)16-6-3-5-15(12-16)18-8-9-19(30-29-18)28-20(34)11-14-4-2-7-17(10-14)35-23(24,25)26/h2,4,7-10,15-16H,3,5-6,11-12H2,1H3,(H,27,32,33)(H,28,30,34).
What are the key properties of N-[6-[3-(5-acetamido-1,3,4-thiadiazol-2-yl)cyclohexyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide?
N-[6-[3-(5-acetamido-1,3,4-thiadiazol-2-yl)cyclohexyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide has a molecular weight of 520.54 g/mol, XLogP of 4.81, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[3-(5-acetamido-1,3,4-thiadiazol-2-yl)cyclohexyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 175828441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).