N-(2-methoxyphenyl)-2-[6-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide

C22H19N5O2S2 — CID 16916895

IUPACN-(2-methoxyphenyl)-2-[6-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide
SMILESCOc1ccccc1NC(=O)CSc1ccc(-c2sc(-c3cccnc3)nc2C)nn1
InChIInChI=1S/C22H19N5O2S2/c1-14-21(31-22(24-14)15-6-5-11-23-12-15)17-9-10-20(27-26-17)30-13-19(28)25-16-7-3-4-8-18(16)29-2/h3-12H,13H2,1-2H3,(H,25,28)
InChIKeyRYNBCRGVIYVPHT-UHFFFAOYSA-N
MW449.56 g/mol
LogP4.71
Rot. Bonds7

About N-(2-methoxyphenyl)-2-[6-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide

N-(2-methoxyphenyl)-2-[6-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide (PubChem CID 16916895) has the molecular formula C22H19N5O2S2 and a molecular weight of 449.56 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-2-[6-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-2-[6-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide
PubChem CID16916895
Molecular FormulaC22H19N5O2S2
Molecular Weight449.56 g/mol
Exact Mass449.10
IUPAC NameN-(2-methoxyphenyl)-2-[6-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide
SMILESCOc1ccccc1NC(=O)CSc1ccc(-c2sc(-c3cccnc3)nc2C)nn1
InChIInChI=1S/C22H19N5O2S2/c1-14-21(31-22(24-14)15-6-5-11-23-12-15)17-9-10-20(27-26-17)30-13-19(28)25-16-7-3-4-8-18(16)29-2/h3-12H,13H2,1-2H3,(H,25,28)
InChIKeyRYNBCRGVIYVPHT-UHFFFAOYSA-N
XLogP4.71
TPSA89.89 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.56
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[(3-methoxyphenyl)methyl]-2-(6-pyridin-2-ylpyridazin-3-yl)sulfanylacetamide
CID 7207470
IRAK inhibitor 6
CID 44449392
N-[2-Methoxy-4-(4-methyl-1-piperazinyl)phenyl]-2-(3-pyridinyl)-4-thiazolecarboxamide
CID 44449393
N-(2,5-dimethoxyphenyl)-2-{[5-(3-pyridinyl)-1,3,4-thiadiazol-2-yl]thio}acetamide
CID 1258683
N-(2-methoxybenzyl)-2-((6-(pyridin-2-yl)pyridazin-3-yl)thio)acetamide
CID 7207466
N-(2-methoxybenzyl)-2-((6-(pyridin-4-yl)pyridazin-3-yl)thio)acetamide
CID 7207467
N-(4-methoxyphenethyl)-2-((6-(pyridin-4-yl)pyridazin-3-yl)thio)acetamide
CID 7207478
2-((6-(2,4-dimethylthiazol-5-yl)pyridazin-3-yl)thio)-N-(4-methoxyphenyl)acetamide
CID 7207515
2-((6-(2,4-dimethylthiazol-5-yl)pyridazin-3-yl)thio)-N-(2-ethoxyphenyl)acetamide
CID 7207521
N-(4-ethoxyphenyl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylacetamide
CID 7222457
N-(2-methoxybenzyl)-2-((6-(4-methyl-2-phenylthiazol-5-yl)pyridazin-3-yl)thio)acetamide
CID 16019403
CID 44449617
CID 44449617

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-2-[6-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide?
The IUPAC name of N-(2-methoxyphenyl)-2-[6-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide (CID 16916895) is N-(2-methoxyphenyl)-2-[6-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide.
What is the SMILES notation for N-(2-methoxyphenyl)-2-[6-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide?
The canonical SMILES for N-(2-methoxyphenyl)-2-[6-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide is COc1ccccc1NC(=O)CSc1ccc(-c2sc(-c3cccnc3)nc2C)nn1.
What is the InChIKey of N-(2-methoxyphenyl)-2-[6-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide?
The InChIKey is RYNBCRGVIYVPHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O2S2/c1-14-21(31-22(24-14)15-6-5-11-23-12-15)17-9-10-20(27-26-17)30-13-19(28)25-16-7-3-4-8-18(16)29-2/h3-12H,13H2,1-2H3,(H,25,28).
What are the key properties of N-(2-methoxyphenyl)-2-[6-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide?
N-(2-methoxyphenyl)-2-[6-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide has a molecular weight of 449.56 g/mol, XLogP of 4.71, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-2-[6-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide is sourced from PubChem (CID 16916895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).