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

C19H20N4O2S2 — CID 7207559

IUPAC2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanyl-N-[(3-methoxyphenyl)methyl]acetamide
SMILESCOc1cccc(CNC(=O)CSc2ccc(-c3sc(C)nc3C)nn2)c1
InChIInChI=1S/C19H20N4O2S2/c1-12-19(27-13(2)21-12)16-7-8-18(23-22-16)26-11-17(24)20-10-14-5-4-6-15(9-14)25-3/h4-9H,10-11H2,1-3H3,(H,20,24)
InChIKeyWANDLGXVPMJXIO-UHFFFAOYSA-N
MW400.53 g/mol
LogP3.63
Rot. Bonds7

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

2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanyl-N-[(3-methoxyphenyl)methyl]acetamide (PubChem CID 7207559) has the molecular formula C19H20N4O2S2 and a molecular weight of 400.53 g/mol. Its IUPAC name is 2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanyl-N-[(3-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanyl-N-[(3-methoxyphenyl)methyl]acetamide
PubChem CID7207559
Molecular FormulaC19H20N4O2S2
Molecular Weight400.53 g/mol
Exact Mass400.10
IUPAC Name2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanyl-N-[(3-methoxyphenyl)methyl]acetamide
SMILESCOc1cccc(CNC(=O)CSc2ccc(-c3sc(C)nc3C)nn2)c1
InChIInChI=1S/C19H20N4O2S2/c1-12-19(27-13(2)21-12)16-7-8-18(23-22-16)26-11-17(24)20-10-14-5-4-6-15(9-14)25-3/h4-9H,10-11H2,1-3H3,(H,20,24)
InChIKeyWANDLGXVPMJXIO-UHFFFAOYSA-N
XLogP3.63
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.53
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanyl-N-[(3-methoxyphenyl)methyl]acetamide (CID 7207559) is 2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanyl-N-[(3-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanyl-N-[(3-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanyl-N-[(3-methoxyphenyl)methyl]acetamide is COc1cccc(CNC(=O)CSc2ccc(-c3sc(C)nc3C)nn2)c1.
What is the InChIKey of 2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanyl-N-[(3-methoxyphenyl)methyl]acetamide?
The InChIKey is WANDLGXVPMJXIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2S2/c1-12-19(27-13(2)21-12)16-7-8-18(23-22-16)26-11-17(24)20-10-14-5-4-6-15(9-14)25-3/h4-9H,10-11H2,1-3H3,(H,20,24).
What are the key properties of 2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanyl-N-[(3-methoxyphenyl)methyl]acetamide?
2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanyl-N-[(3-methoxyphenyl)methyl]acetamide has a molecular weight of 400.53 g/mol, XLogP of 3.63, 7 rotatable bonds, 1 hydrogen bond donors, and 7 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-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 7207559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).