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

C23H21N5O2S2 — CID 16916954

IUPACN-[(2-methoxyphenyl)methyl]-2-[6-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide
SMILESCOc1ccccc1CNC(=O)CSc1ccc(-c2sc(-c3cccnc3)nc2C)nn1
InChIInChI=1S/C23H21N5O2S2/c1-15-22(32-23(26-15)17-7-5-11-24-12-17)18-9-10-21(28-27-18)31-14-20(29)25-13-16-6-3-4-8-19(16)30-2/h3-12H,13-14H2,1-2H3,(H,25,29)
InChIKeyBNQUDXGWGWMPHI-UHFFFAOYSA-N
MW463.59 g/mol
LogP4.39
Rot. Bonds8

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

N-[(2-methoxyphenyl)methyl]-2-[6-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide (PubChem CID 16916954) has the molecular formula C23H21N5O2S2 and a molecular weight of 463.59 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-2-[6-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-2-[6-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide
PubChem CID16916954
Molecular FormulaC23H21N5O2S2
Molecular Weight463.59 g/mol
Exact Mass463.11
IUPAC NameN-[(2-methoxyphenyl)methyl]-2-[6-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide
SMILESCOc1ccccc1CNC(=O)CSc1ccc(-c2sc(-c3cccnc3)nc2C)nn1
InChIInChI=1S/C23H21N5O2S2/c1-15-22(32-23(26-15)17-7-5-11-24-12-17)18-9-10-21(28-27-18)31-14-20(29)25-13-16-6-3-4-8-19(16)30-2/h3-12H,13-14H2,1-2H3,(H,25,29)
InChIKeyBNQUDXGWGWMPHI-UHFFFAOYSA-N
XLogP4.39
TPSA89.89 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.59
LogP ≤ 54.39
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
4-[4-(2-Methoxyphenyl)-1,3-thiazol-2-yl]-2-propylpyridine
CID 8057056
5-(4-Methoxy-phenyl)-1-methyl-3-(4-methyl-thiazol-2-yl)-6-pyridazin-4-yl-1H-pyridin-2-one
CID 10318234
1-[(2-Methoxyphenyl)methyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea
CID 87406786
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
N-(4-ethoxyphenyl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylacetamide
CID 7222457
4,5-bis(4-methoxyphenyl)-N-(2-pyridin-3-ylethyl)-1,3-thiazole-2-carboxamide
CID 14938757
N-(2-methoxybenzyl)-2-((6-(4-methyl-2-phenylthiazol-5-yl)pyridazin-3-yl)thio)acetamide
CID 16019403
N-[(3-methoxyphenyl)methyl]-2-(6-pyridin-4-ylpyridazin-3-yl)sulfanylacetamide
CID 7207475
N-(2-methoxy-5-methylphenyl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylacetamide
CID 7207453

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-2-[6-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-2-[6-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide (CID 16916954) is N-[(2-methoxyphenyl)methyl]-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)methyl]-2-[6-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-2-[6-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide is COc1ccccc1CNC(=O)CSc1ccc(-c2sc(-c3cccnc3)nc2C)nn1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-2-[6-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide?
The InChIKey is BNQUDXGWGWMPHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O2S2/c1-15-22(32-23(26-15)17-7-5-11-24-12-17)18-9-10-21(28-27-18)31-14-20(29)25-13-16-6-3-4-8-19(16)30-2/h3-12H,13-14H2,1-2H3,(H,25,29).
What are the key properties of N-[(2-methoxyphenyl)methyl]-2-[6-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide?
N-[(2-methoxyphenyl)methyl]-2-[6-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide has a molecular weight of 463.59 g/mol, XLogP of 4.39, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-2-[6-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide is sourced from PubChem (CID 16916954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).