N-[5-[1-[6-(methylamino)pyridazin-3-yl]piperidin-4-yl]-1,3,4-thiadiazol-2-yl]-2-phenylacetamide

C20H23N7OS — CID 144878488

IUPACN-[5-[1-[6-(methylamino)pyridazin-3-yl]piperidin-4-yl]-1,3,4-thiadiazol-2-yl]-2-phenylacetamide
SMILESCNc1ccc(N2CCC(c3nnc(NC(=O)Cc4ccccc4)s3)CC2)nn1
InChIInChI=1S/C20H23N7OS/c1-21-16-7-8-17(24-23-16)27-11-9-15(10-12-27)19-25-26-20(29-19)22-18(28)13-14-5-3-2-4-6-14/h2-8,15H,9-13H2,1H3,(H,21,23)(H,22,26,28)
InChIKeyFPNVUFTVMNWHLH-UHFFFAOYSA-N
MW409.52 g/mol
LogP2.93
Rot. Bonds6

About N-[5-[1-[6-(methylamino)pyridazin-3-yl]piperidin-4-yl]-1,3,4-thiadiazol-2-yl]-2-phenylacetamide

N-[5-[1-[6-(methylamino)pyridazin-3-yl]piperidin-4-yl]-1,3,4-thiadiazol-2-yl]-2-phenylacetamide (PubChem CID 144878488) has the molecular formula C20H23N7OS and a molecular weight of 409.52 g/mol. Its IUPAC name is N-[5-[1-[6-(methylamino)pyridazin-3-yl]piperidin-4-yl]-1,3,4-thiadiazol-2-yl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[5-[1-[6-(methylamino)pyridazin-3-yl]piperidin-4-yl]-1,3,4-thiadiazol-2-yl]-2-phenylacetamide
PubChem CID144878488
Molecular FormulaC20H23N7OS
Molecular Weight409.52 g/mol
Exact Mass409.17
IUPAC NameN-[5-[1-[6-(methylamino)pyridazin-3-yl]piperidin-4-yl]-1,3,4-thiadiazol-2-yl]-2-phenylacetamide
SMILESCNc1ccc(N2CCC(c3nnc(NC(=O)Cc4ccccc4)s3)CC2)nn1
InChIInChI=1S/C20H23N7OS/c1-21-16-7-8-17(24-23-16)27-11-9-15(10-12-27)19-25-26-20(29-19)22-18(28)13-14-5-3-2-4-6-14/h2-8,15H,9-13H2,1H3,(H,21,23)(H,22,26,28)
InChIKeyFPNVUFTVMNWHLH-UHFFFAOYSA-N
XLogP2.93
TPSA95.93 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.52
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-(2-chlorophenyl)-N-[6-[4-[5-(methylamino)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]pyridazin-3-yl]acetamide
CID 155072515
N-[6-[4-[5-[[2-(3-chlorophenyl)-1-hydroxyethyl]amino]-1,3,4-thiadiazol-2-yl]piperidin-1-yl]pyridazin-3-yl]-2-pyridin-2-ylacetamide
CID 134297348
N-[6-[3-[5-[[2-(1-methylpyrazol-4-yl)acetyl]amino]-1,3,4-thiadiazol-2-yl]pyrrolidin-1-yl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;2,2,2-trifluoroacetic acid
CID 137441130
2-(1,2-benzoxazol-3-yl)-N-[5-[1-(6-formamidopyridazin-3-yl)pyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl]acetamide
CID 146527286
N-(6-morpholin-4-ylpyridazin-3-yl)-2-phenylacetamide
CID 113039672
2-phenyl-N-[6-(4-pyridin-2-ylpiperazin-1-yl)pyridazin-3-yl]acetamide
CID 113043868
benzyl 4-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)amino]-4-oxobutanoate
CID 146022284
N-[6-(4-benzylpiperidin-1-yl)pyridazin-3-yl]-2-methylpropanamide
CID 113044874
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-pyridin-4-ylacetamide
CID 135234210
2-(4-bromophenyl)-N-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]acetamide
CID 113039247
N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-2-pyridin-3-ylacetamide
CID 139460837
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(4-phenylmethoxyphenoxy)acetamide
CID 7995236

Frequently Asked Questions

What is the IUPAC name of N-[5-[1-[6-(methylamino)pyridazin-3-yl]piperidin-4-yl]-1,3,4-thiadiazol-2-yl]-2-phenylacetamide?
The IUPAC name of N-[5-[1-[6-(methylamino)pyridazin-3-yl]piperidin-4-yl]-1,3,4-thiadiazol-2-yl]-2-phenylacetamide (CID 144878488) is N-[5-[1-[6-(methylamino)pyridazin-3-yl]piperidin-4-yl]-1,3,4-thiadiazol-2-yl]-2-phenylacetamide.
What is the SMILES notation for N-[5-[1-[6-(methylamino)pyridazin-3-yl]piperidin-4-yl]-1,3,4-thiadiazol-2-yl]-2-phenylacetamide?
The canonical SMILES for N-[5-[1-[6-(methylamino)pyridazin-3-yl]piperidin-4-yl]-1,3,4-thiadiazol-2-yl]-2-phenylacetamide is CNc1ccc(N2CCC(c3nnc(NC(=O)Cc4ccccc4)s3)CC2)nn1.
What is the InChIKey of N-[5-[1-[6-(methylamino)pyridazin-3-yl]piperidin-4-yl]-1,3,4-thiadiazol-2-yl]-2-phenylacetamide?
The InChIKey is FPNVUFTVMNWHLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N7OS/c1-21-16-7-8-17(24-23-16)27-11-9-15(10-12-27)19-25-26-20(29-19)22-18(28)13-14-5-3-2-4-6-14/h2-8,15H,9-13H2,1H3,(H,21,23)(H,22,26,28).
What are the key properties of N-[5-[1-[6-(methylamino)pyridazin-3-yl]piperidin-4-yl]-1,3,4-thiadiazol-2-yl]-2-phenylacetamide?
N-[5-[1-[6-(methylamino)pyridazin-3-yl]piperidin-4-yl]-1,3,4-thiadiazol-2-yl]-2-phenylacetamide has a molecular weight of 409.52 g/mol, XLogP of 2.93, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[1-[6-(methylamino)pyridazin-3-yl]piperidin-4-yl]-1,3,4-thiadiazol-2-yl]-2-phenylacetamide is sourced from PubChem (CID 144878488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).