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

C19H20N4O3S2 — CID 7207519

IUPACN-(3,4-dimethoxyphenyl)-2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide
SMILESCOc1ccc(NC(=O)CSc2ccc(-c3sc(C)nc3C)nn2)cc1OC
InChIInChI=1S/C19H20N4O3S2/c1-11-19(28-12(2)20-11)14-6-8-18(23-22-14)27-10-17(24)21-13-5-7-15(25-3)16(9-13)26-4/h5-9H,10H2,1-4H3,(H,21,24)
InChIKeyXIDXYMIHSMFTCT-UHFFFAOYSA-N
MW416.53 g/mol
LogP3.96
Rot. Bonds7

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

N-(3,4-dimethoxyphenyl)-2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide (PubChem CID 7207519) has the molecular formula C19H20N4O3S2 and a molecular weight of 416.53 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide
PubChem CID7207519
Molecular FormulaC19H20N4O3S2
Molecular Weight416.53 g/mol
Exact Mass416.10
IUPAC NameN-(3,4-dimethoxyphenyl)-2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide
SMILESCOc1ccc(NC(=O)CSc2ccc(-c3sc(C)nc3C)nn2)cc1OC
InChIInChI=1S/C19H20N4O3S2/c1-11-19(28-12(2)20-11)14-6-8-18(23-22-14)27-10-17(24)21-13-5-7-15(25-3)16(9-13)26-4/h5-9H,10H2,1-4H3,(H,21,24)
InChIKeyXIDXYMIHSMFTCT-UHFFFAOYSA-N
XLogP3.96
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.53
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 2222346
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
2-((6-(2,4-dimethylthiazol-5-yl)pyridazin-3-yl)thio)-N-(3-methoxyphenyl)acetamide
CID 7222584
N-(3,4-dimethoxyphenyl)-2-((6-(pyridin-2-yl)pyridazin-3-yl)thio)acetamide
CID 12006154
N-(3,5-dimethoxyphenyl)-2-((6-(4-methyl-2-phenylthiazol-5-yl)pyridazin-3-yl)thio)acetamide
CID 16019386
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide
CID 3591625
2-((6-(2,4-dimethylthiazol-5-yl)pyridazin-3-yl)thio)-N-(2-methoxyphenyl)acetamide
CID 7222583
N-(2,5-dimethoxyphenyl)-2-((6-(2,4-dimethylthiazol-5-yl)pyridazin-3-yl)thio)acetamide
CID 7222586
N-(3,5-dimethoxyphenyl)-2-((6-(2,4-dimethylthiazol-5-yl)pyridazin-3-yl)thio)acetamide
CID 7502939
N-(4-Ethoxyphenyl)-2-{[6-(4-methyl-2-phenyl-1,3-thiazol-5-YL)pyridazin-3-YL]sulfanyl}acetamide
CID 16019356
N-(3,4-dimethoxyphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 2533003

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide (CID 7207519) is N-(3,4-dimethoxyphenyl)-2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide is COc1ccc(NC(=O)CSc2ccc(-c3sc(C)nc3C)nn2)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide?
The InChIKey is XIDXYMIHSMFTCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3S2/c1-11-19(28-12(2)20-11)14-6-8-18(23-22-14)27-10-17(24)21-13-5-7-15(25-3)16(9-13)26-4/h5-9H,10H2,1-4H3,(H,21,24).
What are the key properties of N-(3,4-dimethoxyphenyl)-2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide?
N-(3,4-dimethoxyphenyl)-2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide has a molecular weight of 416.53 g/mol, XLogP of 3.96, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide is sourced from PubChem (CID 7207519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).