2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-[(2-chlorophenyl)methyl]acetamide

C17H15ClN4O2S — CID 16676552

IUPAC2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-[(2-chlorophenyl)methyl]acetamide
SMILESNc1cc(-c2cccs2)nn(CC(=O)NCc2ccccc2Cl)c1=O
InChIInChI=1S/C17H15ClN4O2S/c18-12-5-2-1-4-11(12)9-20-16(23)10-22-17(24)13(19)8-14(21-22)15-6-3-7-25-15/h1-8H,9-10,19H2,(H,20,23)
InChIKeySAGTZWJXKSCQAD-UHFFFAOYSA-N
MW374.85 g/mol
LogP2.52
Rot. Bonds5

About 2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-[(2-chlorophenyl)methyl]acetamide

2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-[(2-chlorophenyl)methyl]acetamide (PubChem CID 16676552) has the molecular formula C17H15ClN4O2S and a molecular weight of 374.85 g/mol. Its IUPAC name is 2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-[(2-chlorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-[(2-chlorophenyl)methyl]acetamide
PubChem CID16676552
Molecular FormulaC17H15ClN4O2S
Molecular Weight374.85 g/mol
Exact Mass374.06
IUPAC Name2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-[(2-chlorophenyl)methyl]acetamide
SMILESNc1cc(-c2cccs2)nn(CC(=O)NCc2ccccc2Cl)c1=O
InChIInChI=1S/C17H15ClN4O2S/c18-12-5-2-1-4-11(12)9-20-16(23)10-22-17(24)13(19)8-14(21-22)15-6-3-7-25-15/h1-8H,9-10,19H2,(H,20,23)
InChIKeySAGTZWJXKSCQAD-UHFFFAOYSA-N
XLogP2.52
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.85
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-[(3-fluorophenyl)methyl]acetamide
CID 16676551
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2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-[(2-chlorophenyl)methyl]acetamide
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4-amino-2-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]-6-thiophen-2-ylpyridazin-3-one
CID 51495033
2-(2-chlorophenyl)-N-[(2-thiophen-2-yl-4-pyridinyl)methyl]acetamide
CID 91630326
4-amino-2-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-6-thiophen-2-ylpyridazin-3-one
CID 16676603
N-[(2-chlorophenyl)methyl]-3-(5-thiophen-2-yltetrazol-2-yl)propanamide
CID 655576
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Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-[(2-chlorophenyl)methyl]acetamide?
The IUPAC name of 2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-[(2-chlorophenyl)methyl]acetamide (CID 16676552) is 2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-[(2-chlorophenyl)methyl]acetamide.
What is the SMILES notation for 2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-[(2-chlorophenyl)methyl]acetamide?
The canonical SMILES for 2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-[(2-chlorophenyl)methyl]acetamide is Nc1cc(-c2cccs2)nn(CC(=O)NCc2ccccc2Cl)c1=O.
What is the InChIKey of 2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-[(2-chlorophenyl)methyl]acetamide?
The InChIKey is SAGTZWJXKSCQAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O2S/c18-12-5-2-1-4-11(12)9-20-16(23)10-22-17(24)13(19)8-14(21-22)15-6-3-7-25-15/h1-8H,9-10,19H2,(H,20,23).
What are the key properties of 2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-[(2-chlorophenyl)methyl]acetamide?
2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-[(2-chlorophenyl)methyl]acetamide has a molecular weight of 374.85 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-[(2-chlorophenyl)methyl]acetamide is sourced from PubChem (CID 16676552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).