2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanyl-N-(3-fluorophenyl)acetamide

C17H15FN4OS2 — CID 7207548

IUPAC2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanyl-N-(3-fluorophenyl)acetamide
SMILESCc1nc(C)c(-c2ccc(SCC(=O)Nc3cccc(F)c3)nn2)s1
InChIInChI=1S/C17H15FN4OS2/c1-10-17(25-11(2)19-10)14-6-7-16(22-21-14)24-9-15(23)20-13-5-3-4-12(18)8-13/h3-8H,9H2,1-2H3,(H,20,23)
InChIKeyWFDQDJRVXSWIQK-UHFFFAOYSA-N
MW374.47 g/mol
LogP4.09
Rot. Bonds5

About 2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanyl-N-(3-fluorophenyl)acetamide

2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanyl-N-(3-fluorophenyl)acetamide (PubChem CID 7207548) has the molecular formula C17H15FN4OS2 and a molecular weight of 374.47 g/mol. Its IUPAC name is 2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanyl-N-(3-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanyl-N-(3-fluorophenyl)acetamide
PubChem CID7207548
Molecular FormulaC17H15FN4OS2
Molecular Weight374.47 g/mol
Exact Mass374.07
IUPAC Name2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanyl-N-(3-fluorophenyl)acetamide
SMILESCc1nc(C)c(-c2ccc(SCC(=O)Nc3cccc(F)c3)nn2)s1
InChIInChI=1S/C17H15FN4OS2/c1-10-17(25-11(2)19-10)14-6-7-16(22-21-14)24-9-15(23)20-13-5-3-4-12(18)8-13/h3-8H,9H2,1-2H3,(H,20,23)
InChIKeyWFDQDJRVXSWIQK-UHFFFAOYSA-N
XLogP4.09
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.47
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanyl-N-(3-fluorophenyl)acetamide?
The IUPAC name of 2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanyl-N-(3-fluorophenyl)acetamide (CID 7207548) is 2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanyl-N-(3-fluorophenyl)acetamide.
What is the SMILES notation for 2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanyl-N-(3-fluorophenyl)acetamide?
The canonical SMILES for 2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanyl-N-(3-fluorophenyl)acetamide is Cc1nc(C)c(-c2ccc(SCC(=O)Nc3cccc(F)c3)nn2)s1.
What is the InChIKey of 2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanyl-N-(3-fluorophenyl)acetamide?
The InChIKey is WFDQDJRVXSWIQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4OS2/c1-10-17(25-11(2)19-10)14-6-7-16(22-21-14)24-9-15(23)20-13-5-3-4-12(18)8-13/h3-8H,9H2,1-2H3,(H,20,23).
What are the key properties of 2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanyl-N-(3-fluorophenyl)acetamide?
2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanyl-N-(3-fluorophenyl)acetamide has a molecular weight of 374.47 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanyl-N-(3-fluorophenyl)acetamide is sourced from PubChem (CID 7207548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).