2-thiophen-2-yl-N-[6-[3-(trifluoromethyl)anilino]pyridazin-3-yl]acetamide

C17H13F3N4OS — CID 113048973

IUPAC2-thiophen-2-yl-N-[6-[3-(trifluoromethyl)anilino]pyridazin-3-yl]acetamide
SMILESO=C(Cc1cccs1)Nc1ccc(Nc2cccc(C(F)(F)F)c2)nn1
InChIInChI=1S/C17H13F3N4OS/c18-17(19,20)11-3-1-4-12(9-11)21-14-6-7-15(24-23-14)22-16(25)10-13-5-2-8-26-13/h1-9H,10H2,(H,21,23)(H,22,24,25)
InChIKeyOUZFCXFDDSZIJO-UHFFFAOYSA-N
MW378.38 g/mol
LogP4.48
Rot. Bonds5

About 2-thiophen-2-yl-N-[6-[3-(trifluoromethyl)anilino]pyridazin-3-yl]acetamide

2-thiophen-2-yl-N-[6-[3-(trifluoromethyl)anilino]pyridazin-3-yl]acetamide (PubChem CID 113048973) has the molecular formula C17H13F3N4OS and a molecular weight of 378.38 g/mol. Its IUPAC name is 2-thiophen-2-yl-N-[6-[3-(trifluoromethyl)anilino]pyridazin-3-yl]acetamide.

Molecular Properties

Compound Name2-thiophen-2-yl-N-[6-[3-(trifluoromethyl)anilino]pyridazin-3-yl]acetamide
PubChem CID113048973
Molecular FormulaC17H13F3N4OS
Molecular Weight378.38 g/mol
Exact Mass378.08
IUPAC Name2-thiophen-2-yl-N-[6-[3-(trifluoromethyl)anilino]pyridazin-3-yl]acetamide
SMILESO=C(Cc1cccs1)Nc1ccc(Nc2cccc(C(F)(F)F)c2)nn1
InChIInChI=1S/C17H13F3N4OS/c18-17(19,20)11-3-1-4-12(9-11)21-14-6-7-15(24-23-14)22-16(25)10-13-5-2-8-26-13/h1-9H,10H2,(H,21,23)(H,22,24,25)
InChIKeyOUZFCXFDDSZIJO-UHFFFAOYSA-N
XLogP4.48
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.38
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(4-chloroanilino)pyridazin-3-yl]-2-thiophen-2-ylacetamide
CID 113047543
N-[6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridazin-3-yl]-2-thiophen-2-ylacetamide
CID 113050307
N-[5-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide
CID 40833739
N-[6-(4-cyanoanilino)pyridazin-3-yl]-2-thiophen-2-ylacetamide
CID 113051329
N-[6-(2,3-dimethylanilino)pyridazin-3-yl]-2-thiophen-2-ylacetamide
CID 113046581
6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxylic acid
CID 60790862
N-(thiophen-2-ylmethyl)-N'-[3-(trifluoromethyl)phenyl]butanediamide
CID 5035064
N-[6-(2,3-dichloroanilino)pyridazin-3-yl]-2-thiophen-2-ylacetamide
CID 113050922
2-thiophen-2-yl-N-[5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 40827646
N-[6-[3-(trifluoromethyl)anilino]pyridazin-3-yl]pyridine-3-carboxamide
CID 113048977
4-methoxy-N-[6-[3-(trifluoromethyl)anilino]pyridazin-3-yl]benzamide
CID 113048972
N-[6-(3-acetylanilino)-3-pyridinyl]-2-thiophen-2-ylacetamide
CID 113020325

Frequently Asked Questions

What is the IUPAC name of 2-thiophen-2-yl-N-[6-[3-(trifluoromethyl)anilino]pyridazin-3-yl]acetamide?
The IUPAC name of 2-thiophen-2-yl-N-[6-[3-(trifluoromethyl)anilino]pyridazin-3-yl]acetamide (CID 113048973) is 2-thiophen-2-yl-N-[6-[3-(trifluoromethyl)anilino]pyridazin-3-yl]acetamide.
What is the SMILES notation for 2-thiophen-2-yl-N-[6-[3-(trifluoromethyl)anilino]pyridazin-3-yl]acetamide?
The canonical SMILES for 2-thiophen-2-yl-N-[6-[3-(trifluoromethyl)anilino]pyridazin-3-yl]acetamide is O=C(Cc1cccs1)Nc1ccc(Nc2cccc(C(F)(F)F)c2)nn1.
What is the InChIKey of 2-thiophen-2-yl-N-[6-[3-(trifluoromethyl)anilino]pyridazin-3-yl]acetamide?
The InChIKey is OUZFCXFDDSZIJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N4OS/c18-17(19,20)11-3-1-4-12(9-11)21-14-6-7-15(24-23-14)22-16(25)10-13-5-2-8-26-13/h1-9H,10H2,(H,21,23)(H,22,24,25).
What are the key properties of 2-thiophen-2-yl-N-[6-[3-(trifluoromethyl)anilino]pyridazin-3-yl]acetamide?
2-thiophen-2-yl-N-[6-[3-(trifluoromethyl)anilino]pyridazin-3-yl]acetamide has a molecular weight of 378.38 g/mol, XLogP of 4.48, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-yl-N-[6-[3-(trifluoromethyl)anilino]pyridazin-3-yl]acetamide is sourced from PubChem (CID 113048973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).