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

C20H22ClN7OS — CID 155072515

IUPAC2-(2-chlorophenyl)-N-[6-[4-[5-(methylamino)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]pyridazin-3-yl]acetamide
SMILESCNc1nnc(C2CCN(c3ccc(NC(=O)Cc4ccccc4Cl)nn3)CC2)s1
InChIInChI=1S/C20H22ClN7OS/c1-22-20-27-26-19(30-20)13-8-10-28(11-9-13)17-7-6-16(24-25-17)23-18(29)12-14-4-2-3-5-15(14)21/h2-7,13H,8-12H2,1H3,(H,22,27)(H,23,24,29)
InChIKeyUKWUFWYRNSXOKT-UHFFFAOYSA-N
MW443.96 g/mol
LogP3.59
Rot. Bonds6

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

2-(2-chlorophenyl)-N-[6-[4-[5-(methylamino)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]pyridazin-3-yl]acetamide (PubChem CID 155072515) has the molecular formula C20H22ClN7OS and a molecular weight of 443.96 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-[6-[4-[5-(methylamino)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]pyridazin-3-yl]acetamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-[6-[4-[5-(methylamino)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]pyridazin-3-yl]acetamide
PubChem CID155072515
Molecular FormulaC20H22ClN7OS
Molecular Weight443.96 g/mol
Exact Mass443.13
IUPAC Name2-(2-chlorophenyl)-N-[6-[4-[5-(methylamino)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]pyridazin-3-yl]acetamide
SMILESCNc1nnc(C2CCN(c3ccc(NC(=O)Cc4ccccc4Cl)nn3)CC2)s1
InChIInChI=1S/C20H22ClN7OS/c1-22-20-27-26-19(30-20)13-8-10-28(11-9-13)17-7-6-16(24-25-17)23-18(29)12-14-4-2-3-5-15(14)21/h2-7,13H,8-12H2,1H3,(H,22,27)(H,23,24,29)
InChIKeyUKWUFWYRNSXOKT-UHFFFAOYSA-N
XLogP3.59
TPSA95.93 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.96
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-(2-chlorophenyl)-N-[6-[4-[5-(methylamino)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]pyridazin-3-yl]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-[1-[6-(methylamino)pyridazin-3-yl]piperidin-4-yl]-1,3,4-thiadiazol-2-yl]-2-phenylacetamide
CID 144878488
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
2-(2-acetamidophenyl)-N-[5-[(1S,3S)-3-[5-(methylamino)-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 138481270
N-[6-(4-acetylpiperazin-1-yl)pyridazin-3-yl]-2-(2-methylphenyl)acetamide
CID 113040589
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-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-naphthalen-1-ylacetamide
CID 8503008
2-(2-chlorophenyl)-N-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]acetamide
CID 43992928
N-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-2-(2-methoxyphenyl)acetamide
CID 52899109
N-[6-(4-benzylpiperidin-1-yl)pyridazin-3-yl]-2-methylpropanamide
CID 113044874
N-[6-(4-acetylpiperidin-1-yl)pyridazin-3-yl]-2-methylpropanamide
CID 166112176
2-(4-bromophenyl)-N-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]acetamide
CID 113039247
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

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-[6-[4-[5-(methylamino)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]pyridazin-3-yl]acetamide?
The IUPAC name of 2-(2-chlorophenyl)-N-[6-[4-[5-(methylamino)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]pyridazin-3-yl]acetamide (CID 155072515) is 2-(2-chlorophenyl)-N-[6-[4-[5-(methylamino)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]pyridazin-3-yl]acetamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-[6-[4-[5-(methylamino)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]pyridazin-3-yl]acetamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-[6-[4-[5-(methylamino)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]pyridazin-3-yl]acetamide is CNc1nnc(C2CCN(c3ccc(NC(=O)Cc4ccccc4Cl)nn3)CC2)s1.
What is the InChIKey of 2-(2-chlorophenyl)-N-[6-[4-[5-(methylamino)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]pyridazin-3-yl]acetamide?
The InChIKey is UKWUFWYRNSXOKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN7OS/c1-22-20-27-26-19(30-20)13-8-10-28(11-9-13)17-7-6-16(24-25-17)23-18(29)12-14-4-2-3-5-15(14)21/h2-7,13H,8-12H2,1H3,(H,22,27)(H,23,24,29).
What are the key properties of 2-(2-chlorophenyl)-N-[6-[4-[5-(methylamino)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]pyridazin-3-yl]acetamide?
2-(2-chlorophenyl)-N-[6-[4-[5-(methylamino)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]pyridazin-3-yl]acetamide has a molecular weight of 443.96 g/mol, XLogP of 3.59, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-[6-[4-[5-(methylamino)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]pyridazin-3-yl]acetamide is sourced from PubChem (CID 155072515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).