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

C16H13FN4OS2 — CID 7502837

IUPAC2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1csc(NC(=O)CSc2ccc(-c3ccc(F)cc3)nn2)n1
InChIInChI=1S/C16H13FN4OS2/c1-10-8-24-16(18-10)19-14(22)9-23-15-7-6-13(20-21-15)11-2-4-12(17)5-3-11/h2-8H,9H2,1H3,(H,18,19,22)
InChIKeyCPDXRDWIQVHBGS-UHFFFAOYSA-N
MW360.44 g/mol
LogP3.78
Rot. Bonds5

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

2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide (PubChem CID 7502837) has the molecular formula C16H13FN4OS2 and a molecular weight of 360.44 g/mol. Its IUPAC name is 2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide
PubChem CID7502837
Molecular FormulaC16H13FN4OS2
Molecular Weight360.44 g/mol
Exact Mass360.05
IUPAC Name2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1csc(NC(=O)CSc2ccc(-c3ccc(F)cc3)nn2)n1
InChIInChI=1S/C16H13FN4OS2/c1-10-8-24-16(18-10)19-14(22)9-23-15-7-6-13(20-21-15)11-2-4-12(17)5-3-11/h2-8H,9H2,1H3,(H,18,19,22)
InChIKeyCPDXRDWIQVHBGS-UHFFFAOYSA-N
XLogP3.78
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide (CID 7502837) is 2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide is Cc1csc(NC(=O)CSc2ccc(-c3ccc(F)cc3)nn2)n1.
What is the InChIKey of 2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is CPDXRDWIQVHBGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN4OS2/c1-10-8-24-16(18-10)19-14(22)9-23-15-7-6-13(20-21-15)11-2-4-12(17)5-3-11/h2-8H,9H2,1H3,(H,18,19,22).
What are the key properties of 2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 360.44 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 7502837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).