N-[5-[1-[6-[3-(3-methylphenyl)-2-oxopropyl]pyridazin-3-yl]piperidin-3-yl]-1,3,4-thiadiazol-2-yl]acetamide

C23H26N6O2S — CID 160809349

IUPACN-[5-[1-[6-[3-(3-methylphenyl)-2-oxopropyl]pyridazin-3-yl]piperidin-3-yl]-1,3,4-thiadiazol-2-yl]acetamide
SMILESCC(=O)Nc1nnc(C2CCCN(c3ccc(CC(=O)Cc4cccc(C)c4)nn3)C2)s1
InChIInChI=1S/C23H26N6O2S/c1-15-5-3-6-17(11-15)12-20(31)13-19-8-9-21(26-25-19)29-10-4-7-18(14-29)22-27-28-23(32-22)24-16(2)30/h3,5-6,8-9,11,18H,4,7,10,12-14H2,1-2H3,(H,24,28,30)
InChIKeySECOEFHIBUIFTA-UHFFFAOYSA-N
MW450.57 g/mol
LogP3.33
Rot. Bonds7

About N-[5-[1-[6-[3-(3-methylphenyl)-2-oxopropyl]pyridazin-3-yl]piperidin-3-yl]-1,3,4-thiadiazol-2-yl]acetamide

N-[5-[1-[6-[3-(3-methylphenyl)-2-oxopropyl]pyridazin-3-yl]piperidin-3-yl]-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 160809349) has the molecular formula C23H26N6O2S and a molecular weight of 450.57 g/mol. Its IUPAC name is N-[5-[1-[6-[3-(3-methylphenyl)-2-oxopropyl]pyridazin-3-yl]piperidin-3-yl]-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[1-[6-[3-(3-methylphenyl)-2-oxopropyl]pyridazin-3-yl]piperidin-3-yl]-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID160809349
Molecular FormulaC23H26N6O2S
Molecular Weight450.57 g/mol
Exact Mass450.18
IUPAC NameN-[5-[1-[6-[3-(3-methylphenyl)-2-oxopropyl]pyridazin-3-yl]piperidin-3-yl]-1,3,4-thiadiazol-2-yl]acetamide
SMILESCC(=O)Nc1nnc(C2CCCN(c3ccc(CC(=O)Cc4cccc(C)c4)nn3)C2)s1
InChIInChI=1S/C23H26N6O2S/c1-15-5-3-6-17(11-15)12-20(31)13-19-8-9-21(26-25-19)29-10-4-7-18(14-29)22-27-28-23(32-22)24-16(2)30/h3,5-6,8-9,11,18H,4,7,10,12-14H2,1-2H3,(H,24,28,30)
InChIKeySECOEFHIBUIFTA-UHFFFAOYSA-N
XLogP3.33
TPSA100.97 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.57
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-(3-methylphenyl)-N-[6-(3-methylpiperidin-1-yl)pyridazin-3-yl]acetamide
CID 113045060
1-[6-[[2-(3-methylphenyl)acetyl]amino]pyridazin-3-yl]piperidine-3-carboxylic acid
CID 122660230
2-(3-aminophenyl)-N-[5-[(1S,3S)-3-[5-[[2-(3-methylphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 118444061
N-[5-[(3S)-1-(3-methylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl]acetamide
CID 27262189
2-[3-(aminomethyl)phenyl]-N-[5-[3-[5-[[2-[3-(aminomethyl)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 123890028
N-[5-[(1S,3S)-3-(5-acetamido-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-(3-methoxyphenyl)acetamide
CID 86719123
N-[5-[3-[5-(2-oxopropyl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]-1,3,4-thiadiazol-2-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide
CID 158773353
N-[5-[3-[3-methyl-5-[[2-(3-methylphenyl)acetyl]amino]-2H-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-(3-methylphenyl)acetamide
CID 123305138
2-[3-(3-fluoroazetidin-1-yl)phenyl]-N-[5-[(1S,3S)-3-[5-[[2-[3-(3-fluoroazetidin-1-yl)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 90186071
N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-2-[3-(dimethylamino)phenyl]acetamide
CID 135234164
N-[5-[3-(5-acetamido-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 123932745
N-[5-[1-[6-(methylamino)pyridazin-3-yl]piperidin-4-yl]-1,3,4-thiadiazol-2-yl]-2-phenylacetamide
CID 144878488

Frequently Asked Questions

What is the IUPAC name of N-[5-[1-[6-[3-(3-methylphenyl)-2-oxopropyl]pyridazin-3-yl]piperidin-3-yl]-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of N-[5-[1-[6-[3-(3-methylphenyl)-2-oxopropyl]pyridazin-3-yl]piperidin-3-yl]-1,3,4-thiadiazol-2-yl]acetamide (CID 160809349) is N-[5-[1-[6-[3-(3-methylphenyl)-2-oxopropyl]pyridazin-3-yl]piperidin-3-yl]-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[1-[6-[3-(3-methylphenyl)-2-oxopropyl]pyridazin-3-yl]piperidin-3-yl]-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[1-[6-[3-(3-methylphenyl)-2-oxopropyl]pyridazin-3-yl]piperidin-3-yl]-1,3,4-thiadiazol-2-yl]acetamide is CC(=O)Nc1nnc(C2CCCN(c3ccc(CC(=O)Cc4cccc(C)c4)nn3)C2)s1.
What is the InChIKey of N-[5-[1-[6-[3-(3-methylphenyl)-2-oxopropyl]pyridazin-3-yl]piperidin-3-yl]-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is SECOEFHIBUIFTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O2S/c1-15-5-3-6-17(11-15)12-20(31)13-19-8-9-21(26-25-19)29-10-4-7-18(14-29)22-27-28-23(32-22)24-16(2)30/h3,5-6,8-9,11,18H,4,7,10,12-14H2,1-2H3,(H,24,28,30).
What are the key properties of N-[5-[1-[6-[3-(3-methylphenyl)-2-oxopropyl]pyridazin-3-yl]piperidin-3-yl]-1,3,4-thiadiazol-2-yl]acetamide?
N-[5-[1-[6-[3-(3-methylphenyl)-2-oxopropyl]pyridazin-3-yl]piperidin-3-yl]-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 450.57 g/mol, XLogP of 3.33, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[1-[6-[3-(3-methylphenyl)-2-oxopropyl]pyridazin-3-yl]piperidin-3-yl]-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 160809349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).