N-[6-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyridazin-3-yl]furan-2-carboxamide

C17H12F3N3O2S — CID 42139382

IUPACN-[6-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyridazin-3-yl]furan-2-carboxamide
SMILESO=C(Nc1ccc(SCc2cccc(C(F)(F)F)c2)nn1)c1ccco1
InChIInChI=1S/C17H12F3N3O2S/c18-17(19,20)12-4-1-3-11(9-12)10-26-15-7-6-14(22-23-15)21-16(24)13-5-2-8-25-13/h1-9H,10H2,(H,21,22,24)
InChIKeyNMXRYOQFNWMDPQ-UHFFFAOYSA-N
MW379.36 g/mol
LogP4.63
Rot. Bonds5

About N-[6-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyridazin-3-yl]furan-2-carboxamide

N-[6-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyridazin-3-yl]furan-2-carboxamide (PubChem CID 42139382) has the molecular formula C17H12F3N3O2S and a molecular weight of 379.36 g/mol. Its IUPAC name is N-[6-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyridazin-3-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[6-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyridazin-3-yl]furan-2-carboxamide
PubChem CID42139382
Molecular FormulaC17H12F3N3O2S
Molecular Weight379.36 g/mol
Exact Mass379.06
IUPAC NameN-[6-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyridazin-3-yl]furan-2-carboxamide
SMILESO=C(Nc1ccc(SCc2cccc(C(F)(F)F)c2)nn1)c1ccco1
InChIInChI=1S/C17H12F3N3O2S/c18-17(19,20)12-4-1-3-11(9-12)10-26-15-7-6-14(22-23-15)21-16(24)13-5-2-8-25-13/h1-9H,10H2,(H,21,22,24)
InChIKeyNMXRYOQFNWMDPQ-UHFFFAOYSA-N
XLogP4.63
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.36
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[6-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyridazin-3-yl]furan-2-carboxamide?
The IUPAC name of N-[6-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyridazin-3-yl]furan-2-carboxamide (CID 42139382) is N-[6-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyridazin-3-yl]furan-2-carboxamide.
What is the SMILES notation for N-[6-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyridazin-3-yl]furan-2-carboxamide?
The canonical SMILES for N-[6-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyridazin-3-yl]furan-2-carboxamide is O=C(Nc1ccc(SCc2cccc(C(F)(F)F)c2)nn1)c1ccco1.
What is the InChIKey of N-[6-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyridazin-3-yl]furan-2-carboxamide?
The InChIKey is NMXRYOQFNWMDPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N3O2S/c18-17(19,20)12-4-1-3-11(9-12)10-26-15-7-6-14(22-23-15)21-16(24)13-5-2-8-25-13/h1-9H,10H2,(H,21,22,24).
What are the key properties of N-[6-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyridazin-3-yl]furan-2-carboxamide?
N-[6-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyridazin-3-yl]furan-2-carboxamide has a molecular weight of 379.36 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyridazin-3-yl]furan-2-carboxamide is sourced from PubChem (CID 42139382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).