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

C19H20N4O2S2 — CID 7207521

IUPAC2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanyl-N-(2-ethoxyphenyl)acetamide
SMILESCCOc1ccccc1NC(=O)CSc1ccc(-c2sc(C)nc2C)nn1
InChIInChI=1S/C19H20N4O2S2/c1-4-25-16-8-6-5-7-14(16)21-17(24)11-26-18-10-9-15(22-23-18)19-12(2)20-13(3)27-19/h5-10H,4,11H2,1-3H3,(H,21,24)
InChIKeyWNLOHIJBXADTMP-UHFFFAOYSA-N
MW400.53 g/mol
LogP4.35
Rot. Bonds7

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

2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanyl-N-(2-ethoxyphenyl)acetamide (PubChem CID 7207521) 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-(2-ethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanyl-N-(2-ethoxyphenyl)acetamide
PubChem CID7207521
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-(2-ethoxyphenyl)acetamide
SMILESCCOc1ccccc1NC(=O)CSc1ccc(-c2sc(C)nc2C)nn1
InChIInChI=1S/C19H20N4O2S2/c1-4-25-16-8-6-5-7-14(16)21-17(24)11-26-18-10-9-15(22-23-18)19-12(2)20-13(3)27-19/h5-10H,4,11H2,1-3H3,(H,21,24)
InChIKeyWNLOHIJBXADTMP-UHFFFAOYSA-N
XLogP4.35
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 ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-ethoxyphenyl)-2-[6-(4-ethoxyphenyl)pyridazin-3-yl]sulfanylacetamide
CID 8542081
N-(2-methoxyphenyl)-2-[6-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide
CID 27461214
N-(2-fluorophenyl)-2-[6-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanylacetamide
CID 27460923
2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanyl-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
CID 18562616
N-(2,4-dimethoxyphenyl)-2-[6-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanylacetamide
CID 16916712
N-(5-chloro-2-methoxyphenyl)-2-[6-[2-(2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanylacetamide
CID 16840656
N-(2-ethoxyphenyl)-2-quinoxalin-2-ylsulfanylacetamide
CID 34905335
ethyl 2-[[2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylacetyl]amino]benzoate
CID 8543081
N-(1,3-benzodioxol-5-yl)-2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide
CID 7207522
N-(2-ethoxyphenyl)-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide
CID 135466669
2-[6-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide
CID 16840642
[2-(2-ethoxyanilino)-2-oxoethyl] 2-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanylbenzoate
CID 3503829

Frequently Asked Questions

What is the IUPAC name of 2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanyl-N-(2-ethoxyphenyl)acetamide?
The IUPAC name of 2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanyl-N-(2-ethoxyphenyl)acetamide (CID 7207521) is 2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanyl-N-(2-ethoxyphenyl)acetamide.
What is the SMILES notation for 2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanyl-N-(2-ethoxyphenyl)acetamide?
The canonical SMILES for 2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanyl-N-(2-ethoxyphenyl)acetamide is CCOc1ccccc1NC(=O)CSc1ccc(-c2sc(C)nc2C)nn1.
What is the InChIKey of 2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanyl-N-(2-ethoxyphenyl)acetamide?
The InChIKey is WNLOHIJBXADTMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2S2/c1-4-25-16-8-6-5-7-14(16)21-17(24)11-26-18-10-9-15(22-23-18)19-12(2)20-13(3)27-19/h5-10H,4,11H2,1-3H3,(H,21,24).
What are the key properties of 2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanyl-N-(2-ethoxyphenyl)acetamide?
2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanyl-N-(2-ethoxyphenyl)acetamide has a molecular weight of 400.53 g/mol, XLogP of 4.35, 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-(2-ethoxyphenyl)acetamide is sourced from PubChem (CID 7207521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).