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

C17H15ClN4O2S — CID 166850822

IUPAC2-[3-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]-6-oxopyridazin-1-yl]-N-ethylacetamide
SMILESCCNC(=O)Cn1nc(-c2nc(-c3cccc(Cl)c3)cs2)ccc1=O
InChIInChI=1S/C17H15ClN4O2S/c1-2-19-15(23)9-22-16(24)7-6-13(21-22)17-20-14(10-25-17)11-4-3-5-12(18)8-11/h3-8,10H,2,9H2,1H3,(H,19,23)
InChIKeyHPPXPIGDIGXDMY-UHFFFAOYSA-N
MW374.85 g/mol
LogP2.82
Rot. Bonds5

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

2-[3-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]-6-oxopyridazin-1-yl]-N-ethylacetamide (PubChem CID 166850822) has the molecular formula C17H15ClN4O2S and a molecular weight of 374.85 g/mol. Its IUPAC name is 2-[3-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]-6-oxopyridazin-1-yl]-N-ethylacetamide.

Molecular Properties

Compound Name2-[3-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]-6-oxopyridazin-1-yl]-N-ethylacetamide
PubChem CID166850822
Molecular FormulaC17H15ClN4O2S
Molecular Weight374.85 g/mol
Exact Mass374.06
IUPAC Name2-[3-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]-6-oxopyridazin-1-yl]-N-ethylacetamide
SMILESCCNC(=O)Cn1nc(-c2nc(-c3cccc(Cl)c3)cs2)ccc1=O
InChIInChI=1S/C17H15ClN4O2S/c1-2-19-15(23)9-22-16(24)7-6-13(21-22)17-20-14(10-25-17)11-4-3-5-12(18)8-11/h3-8,10H,2,9H2,1H3,(H,19,23)
InChIKeyHPPXPIGDIGXDMY-UHFFFAOYSA-N
XLogP2.82
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.85
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-(3-chlorophenyl)-6-oxopyridazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 3685474
N-(2-bromophenyl)-2-[3-(3-chlorophenyl)-6-oxopyridazin-1-yl]acetamide
CID 3224565
2-[3-(3-chlorophenyl)-6-oxopyridazin-1-yl]-N-(4-methylphenyl)acetamide
CID 56921156
2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]acetamide
CID 121050677
2-(6-oxo-3-phenylpyridazin-1-yl)-N-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide
CID 55829629
1-[3-[[3-(3-chlorophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]-3-ethylurea
CID 16747560
6-(3-chlorophenyl)-2-[2-(4-methylphenyl)-2-oxoethyl]pyridazin-3-one
CID 51363271
6-(3-chlorophenyl)-2-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]pyridazin-3-one
CID 51363280
6-(3-chlorophenyl)-2-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]pyridazin-3-one
CID 51363284
2-[3-(2-chlorophenyl)-6-oxopyridazin-1-yl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide
CID 53367933
2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]acetamide
CID 121050686
(2R)-2-[[2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]acetyl]amino]-3-phenylpropanoic acid
CID 95196545

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]-6-oxopyridazin-1-yl]-N-ethylacetamide?
The IUPAC name of 2-[3-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]-6-oxopyridazin-1-yl]-N-ethylacetamide (CID 166850822) is 2-[3-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]-6-oxopyridazin-1-yl]-N-ethylacetamide.
What is the SMILES notation for 2-[3-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]-6-oxopyridazin-1-yl]-N-ethylacetamide?
The canonical SMILES for 2-[3-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]-6-oxopyridazin-1-yl]-N-ethylacetamide is CCNC(=O)Cn1nc(-c2nc(-c3cccc(Cl)c3)cs2)ccc1=O.
What is the InChIKey of 2-[3-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]-6-oxopyridazin-1-yl]-N-ethylacetamide?
The InChIKey is HPPXPIGDIGXDMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O2S/c1-2-19-15(23)9-22-16(24)7-6-13(21-22)17-20-14(10-25-17)11-4-3-5-12(18)8-11/h3-8,10H,2,9H2,1H3,(H,19,23).
What are the key properties of 2-[3-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]-6-oxopyridazin-1-yl]-N-ethylacetamide?
2-[3-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]-6-oxopyridazin-1-yl]-N-ethylacetamide has a molecular weight of 374.85 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]-6-oxopyridazin-1-yl]-N-ethylacetamide is sourced from PubChem (CID 166850822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).