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

C17H15ClN4OS2 — CID 7207561

IUPACN-(3-chlorophenyl)-2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide
SMILESCc1nc(C)c(-c2ccc(SCC(=O)Nc3cccc(Cl)c3)nn2)s1
InChIInChI=1S/C17H15ClN4OS2/c1-10-17(25-11(2)19-10)14-6-7-16(22-21-14)24-9-15(23)20-13-5-3-4-12(18)8-13/h3-8H,9H2,1-2H3,(H,20,23)
InChIKeyZGGQACKWPNAVJJ-UHFFFAOYSA-N
MW390.92 g/mol
LogP4.60
Rot. Bonds5

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

N-(3-chlorophenyl)-2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide (PubChem CID 7207561) has the molecular formula C17H15ClN4OS2 and a molecular weight of 390.92 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide
PubChem CID7207561
Molecular FormulaC17H15ClN4OS2
Molecular Weight390.92 g/mol
Exact Mass390.04
IUPAC NameN-(3-chlorophenyl)-2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide
SMILESCc1nc(C)c(-c2ccc(SCC(=O)Nc3cccc(Cl)c3)nn2)s1
InChIInChI=1S/C17H15ClN4OS2/c1-10-17(25-11(2)19-10)14-6-7-16(22-21-14)24-9-15(23)20-13-5-3-4-12(18)8-13/h3-8H,9H2,1-2H3,(H,20,23)
InChIKeyZGGQACKWPNAVJJ-UHFFFAOYSA-N
XLogP4.60
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.92
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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
2-((6-(4-methyl-2-phenylthiazol-5-yl)pyridazin-3-yl)thio)-N-phenylacetamide
CID 16019346
N-(4-bromophenyl)-2-((6-(2,4-dimethylthiazol-5-yl)pyridazin-3-yl)thio)acetamide
CID 16031990
N-[(4-Chlorophenyl)methyl]-2-{[6-(4-methyl-2-phenyl-1,3-thiazol-5-YL)pyridazin-3-YL]sulfanyl}acetamide
CID 16019409
2-((6-(2,4-dimethylthiazol-5-yl)pyridazin-3-yl)thio)-N-(4-ethylphenyl)acetamide
CID 7207512
2-((6-(2,4-dimethylthiazol-5-yl)pyridazin-3-yl)thio)-N-(3-fluorophenyl)acetamide
CID 7207548
N-(3-chloro-2-methylphenyl)-2-((6-(2,4-dimethylthiazol-5-yl)pyridazin-3-yl)thio)acetamide
CID 7207566
2-((6-(2,4-dimethylthiazol-5-yl)pyridazin-3-yl)thio)-N-(2-fluorophenyl)acetamide
CID 7222599
N-(3,4-difluorophenyl)-2-((6-(2,4-dimethylthiazol-5-yl)pyridazin-3-yl)thio)acetamide
CID 7222624
N-(4-Ethylphenyl)-2-{[6-(4-methyl-2-phenyl-1,3-thiazol-5-YL)pyridazin-3-YL]sulfanyl}acetamide
CID 16019352
N-(3-acetamidophenyl)-2-((6-(4-methyl-2-phenylthiazol-5-yl)pyridazin-3-yl)thio)acetamide
CID 16019358

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide?
The IUPAC name of N-(3-chlorophenyl)-2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide (CID 7207561) is N-(3-chlorophenyl)-2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide?
The canonical SMILES for N-(3-chlorophenyl)-2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide is Cc1nc(C)c(-c2ccc(SCC(=O)Nc3cccc(Cl)c3)nn2)s1.
What is the InChIKey of N-(3-chlorophenyl)-2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide?
The InChIKey is ZGGQACKWPNAVJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4OS2/c1-10-17(25-11(2)19-10)14-6-7-16(22-21-14)24-9-15(23)20-13-5-3-4-12(18)8-13/h3-8H,9H2,1-2H3,(H,20,23).
What are the key properties of N-(3-chlorophenyl)-2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide?
N-(3-chlorophenyl)-2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide has a molecular weight of 390.92 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide is sourced from PubChem (CID 7207561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).