N-(2,3-dimethylphenyl)-2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide

C19H20N4OS2 — CID 7222575

IUPACN-(2,3-dimethylphenyl)-2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide
SMILESCc1nc(C)c(-c2ccc(SCC(=O)Nc3cccc(C)c3C)nn2)s1
InChIInChI=1S/C19H20N4OS2/c1-11-6-5-7-15(12(11)2)21-17(24)10-25-18-9-8-16(22-23-18)19-13(3)20-14(4)26-19/h5-9H,10H2,1-4H3,(H,21,24)
InChIKeyNWJIXCGZPBOKLF-UHFFFAOYSA-N
MW384.53 g/mol
LogP4.56
Rot. Bonds5

About N-(2,3-dimethylphenyl)-2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide

N-(2,3-dimethylphenyl)-2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide (PubChem CID 7222575) has the molecular formula C19H20N4OS2 and a molecular weight of 384.53 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide
PubChem CID7222575
Molecular FormulaC19H20N4OS2
Molecular Weight384.53 g/mol
Exact Mass384.11
IUPAC NameN-(2,3-dimethylphenyl)-2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide
SMILESCc1nc(C)c(-c2ccc(SCC(=O)Nc3cccc(C)c3C)nn2)s1
InChIInChI=1S/C19H20N4OS2/c1-11-6-5-7-15(12(11)2)21-17(24)10-25-18-9-8-16(22-23-18)19-13(3)20-14(4)26-19/h5-9H,10H2,1-4H3,(H,21,24)
InChIKeyNWJIXCGZPBOKLF-UHFFFAOYSA-N
XLogP4.56
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.53
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]propanamide
CID 737888
2,4-Dimethyl-5-(6-((2-methylbenzyl)thio)pyridazin-3-yl)thiazole
CID 7207543
N-(2,4-difluorophenyl)-2-((6-(2,4-dimethylthiazol-5-yl)pyridazin-3-yl)thio)acetamide
CID 7207545
N-(3-chloro-4-methylphenyl)-2-((6-(2,4-dimethylthiazol-5-yl)pyridazin-3-yl)thio)acetamide
CID 7207560
N-(3,5-dimethylphenyl)-2-((6-(thiophen-2-yl)pyridazin-3-yl)thio)acetamide
CID 12006193
N-(2,5-Dimethylphenyl)-2-{[6-(thiophen-2-YL)pyridazin-3-YL]sulfanyl}acetamide
CID 12006200
2-((6-(4-methyl-2-phenylthiazol-5-yl)pyridazin-3-yl)thio)-N-phenylacetamide
CID 16019346
N-(2,5-dimethylphenyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 2566241
2-((6-(4-methyl-2-phenylthiazol-5-yl)pyridazin-3-yl)thio)-N-(4-methylbenzyl)acetamide
CID 16019401
N-[3-(1,3-benzothiazol-2-yl)-2-methylphenyl]acetamide
CID 739214
3-methyl-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]butanamide
CID 885028
2-methyl-N-[3-(2-phenyl(1,3-thiazol-4-yl))phenyl]propanamide
CID 2110573

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide?
The IUPAC name of N-(2,3-dimethylphenyl)-2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide (CID 7222575) is N-(2,3-dimethylphenyl)-2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide is Cc1nc(C)c(-c2ccc(SCC(=O)Nc3cccc(C)c3C)nn2)s1.
What is the InChIKey of N-(2,3-dimethylphenyl)-2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide?
The InChIKey is NWJIXCGZPBOKLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4OS2/c1-11-6-5-7-15(12(11)2)21-17(24)10-25-18-9-8-16(22-23-18)19-13(3)20-14(4)26-19/h5-9H,10H2,1-4H3,(H,21,24).
What are the key properties of N-(2,3-dimethylphenyl)-2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide?
N-(2,3-dimethylphenyl)-2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide has a molecular weight of 384.53 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide is sourced from PubChem (CID 7222575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).