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

C18H17FN4OS2 — CID 7222625

IUPAC2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanyl-N-(3-fluoro-4-methylphenyl)acetamide
SMILESCc1nc(C)c(-c2ccc(SCC(=O)Nc3ccc(C)c(F)c3)nn2)s1
InChIInChI=1S/C18H17FN4OS2/c1-10-4-5-13(8-14(10)19)21-16(24)9-25-17-7-6-15(22-23-17)18-11(2)20-12(3)26-18/h4-8H,9H2,1-3H3,(H,21,24)
InChIKeyQDKKGEFWBCUYDT-UHFFFAOYSA-N
MW388.49 g/mol
LogP4.40
Rot. Bonds5

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

2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanyl-N-(3-fluoro-4-methylphenyl)acetamide (PubChem CID 7222625) has the molecular formula C18H17FN4OS2 and a molecular weight of 388.49 g/mol. Its IUPAC name is 2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanyl-N-(3-fluoro-4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanyl-N-(3-fluoro-4-methylphenyl)acetamide
PubChem CID7222625
Molecular FormulaC18H17FN4OS2
Molecular Weight388.49 g/mol
Exact Mass388.08
IUPAC Name2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanyl-N-(3-fluoro-4-methylphenyl)acetamide
SMILESCc1nc(C)c(-c2ccc(SCC(=O)Nc3ccc(C)c(F)c3)nn2)s1
InChIInChI=1S/C18H17FN4OS2/c1-10-4-5-13(8-14(10)19)21-16(24)9-25-17-7-6-15(22-23-17)18-11(2)20-12(3)26-18/h4-8H,9H2,1-3H3,(H,21,24)
InChIKeyQDKKGEFWBCUYDT-UHFFFAOYSA-N
XLogP4.40
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 54.40
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-fluoro-4-methylphenyl)acetamide?
The IUPAC name of 2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanyl-N-(3-fluoro-4-methylphenyl)acetamide (CID 7222625) is 2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanyl-N-(3-fluoro-4-methylphenyl)acetamide.
What is the SMILES notation for 2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanyl-N-(3-fluoro-4-methylphenyl)acetamide?
The canonical SMILES for 2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanyl-N-(3-fluoro-4-methylphenyl)acetamide is Cc1nc(C)c(-c2ccc(SCC(=O)Nc3ccc(C)c(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-fluoro-4-methylphenyl)acetamide?
The InChIKey is QDKKGEFWBCUYDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4OS2/c1-10-4-5-13(8-14(10)19)21-16(24)9-25-17-7-6-15(22-23-17)18-11(2)20-12(3)26-18/h4-8H,9H2,1-3H3,(H,21,24).
What are the key properties of 2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanyl-N-(3-fluoro-4-methylphenyl)acetamide?
2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanyl-N-(3-fluoro-4-methylphenyl)acetamide has a molecular weight of 388.49 g/mol, XLogP of 4.40, 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-fluoro-4-methylphenyl)acetamide is sourced from PubChem (CID 7222625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).