2-[3-(4-chlorophenyl)-4-methoxy-6-oxopyridazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide

C17H15ClN4O3S — CID 71830886

IUPAC2-[3-(4-chlorophenyl)-4-methoxy-6-oxopyridazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCOc1cc(=O)n(CC(=O)Nc2nc(C)cs2)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C17H15ClN4O3S/c1-10-9-26-17(19-10)20-14(23)8-22-15(24)7-13(25-2)16(21-22)11-3-5-12(18)6-4-11/h3-7,9H,8H2,1-2H3,(H,19,20,23)
InChIKeyZJXNNAKHQOCBTN-UHFFFAOYSA-N
MW390.85 g/mol
LogP2.98
Rot. Bonds5

About 2-[3-(4-chlorophenyl)-4-methoxy-6-oxopyridazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide

2-[3-(4-chlorophenyl)-4-methoxy-6-oxopyridazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide (PubChem CID 71830886) has the molecular formula C17H15ClN4O3S and a molecular weight of 390.85 g/mol. Its IUPAC name is 2-[3-(4-chlorophenyl)-4-methoxy-6-oxopyridazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[3-(4-chlorophenyl)-4-methoxy-6-oxopyridazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
PubChem CID71830886
Molecular FormulaC17H15ClN4O3S
Molecular Weight390.85 g/mol
Exact Mass390.06
IUPAC Name2-[3-(4-chlorophenyl)-4-methoxy-6-oxopyridazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCOc1cc(=O)n(CC(=O)Nc2nc(C)cs2)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C17H15ClN4O3S/c1-10-9-26-17(19-10)20-14(23)8-22-15(24)7-13(25-2)16(21-22)11-3-5-12(18)6-4-11/h3-7,9H,8H2,1-2H3,(H,19,20,23)
InChIKeyZJXNNAKHQOCBTN-UHFFFAOYSA-N
XLogP2.98
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.85
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-methoxy-6-oxo-3-phenylpyridazin-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 71830904
2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 7659850
N-(2,5-dimethylpyrazol-3-yl)-2-(4-methoxy-6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 91938934
2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 7662459
2-[3-(4-chlorophenyl)-4-methoxy-6-oxopyridazin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 97458821
2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 7664543
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(4-methoxy-6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 91938931
N-(3,4-dimethylphenyl)-1-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-6-oxopyridazine-3-carboxamide
CID 41248087
2-[7-(4-chlorophenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]-N-(2,5-dimethoxyphenyl)acetamide
CID 16906050
5-chloro-2-methoxy-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 2679160
2-(4-chlorophenyl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 4908224
N-(5-chloro-2-methoxyphenyl)-2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 5064821

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-chlorophenyl)-4-methoxy-6-oxopyridazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[3-(4-chlorophenyl)-4-methoxy-6-oxopyridazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide (CID 71830886) is 2-[3-(4-chlorophenyl)-4-methoxy-6-oxopyridazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[3-(4-chlorophenyl)-4-methoxy-6-oxopyridazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[3-(4-chlorophenyl)-4-methoxy-6-oxopyridazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide is COc1cc(=O)n(CC(=O)Nc2nc(C)cs2)nc1-c1ccc(Cl)cc1.
What is the InChIKey of 2-[3-(4-chlorophenyl)-4-methoxy-6-oxopyridazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is ZJXNNAKHQOCBTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O3S/c1-10-9-26-17(19-10)20-14(23)8-22-15(24)7-13(25-2)16(21-22)11-3-5-12(18)6-4-11/h3-7,9H,8H2,1-2H3,(H,19,20,23).
What are the key properties of 2-[3-(4-chlorophenyl)-4-methoxy-6-oxopyridazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
2-[3-(4-chlorophenyl)-4-methoxy-6-oxopyridazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 390.85 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-chlorophenyl)-4-methoxy-6-oxopyridazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 71830886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).