3-[2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanylethyl]-4-methyl-1,3-thiazol-2-one

C15H17N5OS2 — CID 17440577

IUPAC3-[2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanylethyl]-4-methyl-1,3-thiazol-2-one
SMILESCc1cc(C)n(-c2ccc(SCCn3c(C)csc3=O)nn2)n1
InChIInChI=1S/C15H17N5OS2/c1-10-8-11(2)20(18-10)13-4-5-14(17-16-13)22-7-6-19-12(3)9-23-15(19)21/h4-5,8-9H,6-7H2,1-3H3
InChIKeyZRGIBIJGANJMAN-UHFFFAOYSA-N
MW347.47 g/mol
LogP2.60
Rot. Bonds5

About 3-[2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanylethyl]-4-methyl-1,3-thiazol-2-one

3-[2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanylethyl]-4-methyl-1,3-thiazol-2-one (PubChem CID 17440577) has the molecular formula C15H17N5OS2 and a molecular weight of 347.47 g/mol. Its IUPAC name is 3-[2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanylethyl]-4-methyl-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-[2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanylethyl]-4-methyl-1,3-thiazol-2-one
PubChem CID17440577
Molecular FormulaC15H17N5OS2
Molecular Weight347.47 g/mol
Exact Mass347.09
IUPAC Name3-[2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanylethyl]-4-methyl-1,3-thiazol-2-one
SMILESCc1cc(C)n(-c2ccc(SCCn3c(C)csc3=O)nn2)n1
InChIInChI=1S/C15H17N5OS2/c1-10-8-11(2)20(18-10)13-4-5-14(17-16-13)22-7-6-19-12(3)9-23-15(19)21/h4-5,8-9H,6-7H2,1-3H3
InChIKeyZRGIBIJGANJMAN-UHFFFAOYSA-N
XLogP2.60
TPSA65.60 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.47
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanylethyl]-4-methyl-1,3-thiazol-2-one?
The IUPAC name of 3-[2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanylethyl]-4-methyl-1,3-thiazol-2-one (CID 17440577) is 3-[2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanylethyl]-4-methyl-1,3-thiazol-2-one.
What is the SMILES notation for 3-[2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanylethyl]-4-methyl-1,3-thiazol-2-one?
The canonical SMILES for 3-[2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanylethyl]-4-methyl-1,3-thiazol-2-one is Cc1cc(C)n(-c2ccc(SCCn3c(C)csc3=O)nn2)n1.
What is the InChIKey of 3-[2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanylethyl]-4-methyl-1,3-thiazol-2-one?
The InChIKey is ZRGIBIJGANJMAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5OS2/c1-10-8-11(2)20(18-10)13-4-5-14(17-16-13)22-7-6-19-12(3)9-23-15(19)21/h4-5,8-9H,6-7H2,1-3H3.
What are the key properties of 3-[2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanylethyl]-4-methyl-1,3-thiazol-2-one?
3-[2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanylethyl]-4-methyl-1,3-thiazol-2-one has a molecular weight of 347.47 g/mol, XLogP of 2.60, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanylethyl]-4-methyl-1,3-thiazol-2-one is sourced from PubChem (CID 17440577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).