2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide

C17H12F3N3O2S — CID 6499079

IUPAC2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cn1nc(-c2cccs2)ccc1=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H12F3N3O2S/c18-17(19,20)11-3-1-4-12(9-11)21-15(24)10-23-16(25)7-6-13(22-23)14-5-2-8-26-14/h1-9H,10H2,(H,21,24)
InChIKeyDCFHAPVENJWTSN-UHFFFAOYSA-N
MW379.36 g/mol
LogP3.63
Rot. Bonds4

About 2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide

2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 6499079) has the molecular formula C17H12F3N3O2S and a molecular weight of 379.36 g/mol. Its IUPAC name is 2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID6499079
Molecular FormulaC17H12F3N3O2S
Molecular Weight379.36 g/mol
Exact Mass379.06
IUPAC Name2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cn1nc(-c2cccs2)ccc1=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H12F3N3O2S/c18-17(19,20)11-3-1-4-12(9-11)21-15(24)10-23-16(25)7-6-13(22-23)14-5-2-8-26-14/h1-9H,10H2,(H,21,24)
InChIKeyDCFHAPVENJWTSN-UHFFFAOYSA-N
XLogP3.63
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.36
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-chloro-2-methylphenyl)-2-(6-oxo-3-(thiophen-2-yl)pyridazin-1(6H)-yl)acetamide
CID 6499071
N-(2,3-Dimethyl-phenyl)-2-(6-oxo-3-thiophen-2-yl-6H-pyridazin-1-yl)-acetamide
CID 6499073
2-{(2E)-2-[1-(5-chlorothiophen-2-yl)ethylidene]hydrazinyl}-2-oxo-N-[3-(trifluoromethyl)phenyl]acetamide
CID 9643396
2-(6-oxo-3-phenylpyridazin-1-yl)-N-[4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]acetamide
CID 3224436
N-(4-bromo-3,5-dimethylphenyl)-2-[6-oxo-3-(thiophen-2-yl)pyridazin-1(6H)-yl]acetamide
CID 6499078
N-(4-Ethylphenyl)-2-methyl-5-(2-thienyl)-2H-1,2,6-thiadiazine-3-carboxamide 1,1-dioxide
CID 16017236
1,1-diketo-2-methyl-N-(p-tolyl)-5-(2-thienyl)-1,2,6-thiadiazine-3-carboxamide
CID 16017256
N-(2-Ethylphenyl)-2-methyl-5-(2-thienyl)-2H-1,2,6-thiadiazine-3-carboxamide 1,1-dioxide
CID 17253826
then-2-oyl-Gly-N(Ph(3-CF3))Gly-NHcHex
CID 3211299
N-(3,4-difluorophenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide
CID 7659576
N-[(E)-1-thiophen-2-ylethylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide
CID 9607932
2-[(5Z)-2,4-dioxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 16632078

Frequently Asked Questions

What is the IUPAC name of 2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide (CID 6499079) is 2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide is O=C(Cn1nc(-c2cccs2)ccc1=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is DCFHAPVENJWTSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N3O2S/c18-17(19,20)11-3-1-4-12(9-11)21-15(24)10-23-16(25)7-6-13(22-23)14-5-2-8-26-14/h1-9H,10H2,(H,21,24).
What are the key properties of 2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide?
2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 379.36 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 6499079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).