N-(2,4-difluorophenyl)-2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide

C17H14F2N4OS2 — CID 7207545

IUPACN-(2,4-difluorophenyl)-2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide
SMILESCc1nc(C)c(-c2ccc(SCC(=O)Nc3ccc(F)cc3F)nn2)s1
InChIInChI=1S/C17H14F2N4OS2/c1-9-17(26-10(2)20-9)14-5-6-16(23-22-14)25-8-15(24)21-13-4-3-11(18)7-12(13)19/h3-7H,8H2,1-2H3,(H,21,24)
InChIKeyGOHGJTQEVSFFLG-UHFFFAOYSA-N
MW392.46 g/mol
LogP4.23
Rot. Bonds5

About N-(2,4-difluorophenyl)-2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide

N-(2,4-difluorophenyl)-2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide (PubChem CID 7207545) has the molecular formula C17H14F2N4OS2 and a molecular weight of 392.46 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide
PubChem CID7207545
Molecular FormulaC17H14F2N4OS2
Molecular Weight392.46 g/mol
Exact Mass392.06
IUPAC NameN-(2,4-difluorophenyl)-2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide
SMILESCc1nc(C)c(-c2ccc(SCC(=O)Nc3ccc(F)cc3F)nn2)s1
InChIInChI=1S/C17H14F2N4OS2/c1-9-17(26-10(2)20-9)14-5-6-16(23-22-14)25-8-15(24)21-13-4-3-11(18)7-12(13)19/h3-7H,8H2,1-2H3,(H,21,24)
InChIKeyGOHGJTQEVSFFLG-UHFFFAOYSA-N
XLogP4.23
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide?
The IUPAC name of N-(2,4-difluorophenyl)-2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide (CID 7207545) is N-(2,4-difluorophenyl)-2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide?
The canonical SMILES for N-(2,4-difluorophenyl)-2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide is Cc1nc(C)c(-c2ccc(SCC(=O)Nc3ccc(F)cc3F)nn2)s1.
What is the InChIKey of N-(2,4-difluorophenyl)-2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide?
The InChIKey is GOHGJTQEVSFFLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N4OS2/c1-9-17(26-10(2)20-9)14-5-6-16(23-22-14)25-8-15(24)21-13-4-3-11(18)7-12(13)19/h3-7H,8H2,1-2H3,(H,21,24).
What are the key properties of N-(2,4-difluorophenyl)-2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide?
N-(2,4-difluorophenyl)-2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide has a molecular weight of 392.46 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide is sourced from PubChem (CID 7207545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).