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

C18H14N6OS2 — CID 7519629

IUPAC2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(CSc1ccc(-c2ccc(-n3cccn3)cc2)nn1)Nc1nccs1
InChIInChI=1S/C18H14N6OS2/c25-16(21-18-19-9-11-26-18)12-27-17-7-6-15(22-23-17)13-2-4-14(5-3-13)24-10-1-8-20-24/h1-11H,12H2,(H,19,21,25)
InChIKeySNIMHYIXNSUQSG-UHFFFAOYSA-N
MW394.49 g/mol
LogP3.52
Rot. Bonds6

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

2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 7519629) has the molecular formula C18H14N6OS2 and a molecular weight of 394.49 g/mol. Its IUPAC name is 2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide
PubChem CID7519629
Molecular FormulaC18H14N6OS2
Molecular Weight394.49 g/mol
Exact Mass394.07
IUPAC Name2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(CSc1ccc(-c2ccc(-n3cccn3)cc2)nn1)Nc1nccs1
InChIInChI=1S/C18H14N6OS2/c25-16(21-18-19-9-11-26-18)12-27-17-7-6-15(22-23-17)13-2-4-14(5-3-13)24-10-1-8-20-24/h1-11H,12H2,(H,19,21,25)
InChIKeySNIMHYIXNSUQSG-UHFFFAOYSA-N
XLogP3.52
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.49
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide (CID 7519629) is 2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide is O=C(CSc1ccc(-c2ccc(-n3cccn3)cc2)nn1)Nc1nccs1.
What is the InChIKey of 2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is SNIMHYIXNSUQSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N6OS2/c25-16(21-18-19-9-11-26-18)12-27-17-7-6-15(22-23-17)13-2-4-14(5-3-13)24-10-1-8-20-24/h1-11H,12H2,(H,19,21,25).
What are the key properties of 2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide?
2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 394.49 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 7519629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).