2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanyl-N-(3-methoxyphenyl)acetamide

C18H18N4O2S2 — CID 7222584

IUPAC2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanyl-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)CSc2ccc(-c3sc(C)nc3C)nn2)c1
InChIInChI=1S/C18H18N4O2S2/c1-11-18(26-12(2)19-11)15-7-8-17(22-21-15)25-10-16(23)20-13-5-4-6-14(9-13)24-3/h4-9H,10H2,1-3H3,(H,20,23)
InChIKeyXKEMWIBTCZNUST-UHFFFAOYSA-N
MW386.50 g/mol
LogP3.96
Rot. Bonds6

About 2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanyl-N-(3-methoxyphenyl)acetamide

2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanyl-N-(3-methoxyphenyl)acetamide (PubChem CID 7222584) has the molecular formula C18H18N4O2S2 and a molecular weight of 386.50 g/mol. Its IUPAC name is 2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanyl-N-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanyl-N-(3-methoxyphenyl)acetamide
PubChem CID7222584
Molecular FormulaC18H18N4O2S2
Molecular Weight386.50 g/mol
Exact Mass386.09
IUPAC Name2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanyl-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)CSc2ccc(-c3sc(C)nc3C)nn2)c1
InChIInChI=1S/C18H18N4O2S2/c1-11-18(26-12(2)19-11)15-7-8-17(22-21-15)25-10-16(23)20-13-5-4-6-14(9-13)24-3/h4-9H,10H2,1-3H3,(H,20,23)
InChIKeyXKEMWIBTCZNUST-UHFFFAOYSA-N
XLogP3.96
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-methoxyphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 2532845
2-((6-(2,4-dimethylthiazol-5-yl)pyridazin-3-yl)thio)-N-(4-methoxyphenyl)acetamide
CID 7207515
N-(3,4-dimethoxyphenyl)-2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide
CID 7207519
2-((6-(2,4-dimethylthiazol-5-yl)pyridazin-3-yl)thio)-N-(2-ethoxyphenyl)acetamide
CID 7207521
N-(3,5-dimethoxyphenyl)-2-((6-(4-methyl-2-phenylthiazol-5-yl)pyridazin-3-yl)thio)acetamide
CID 16019386
N-(2-methoxybenzyl)-2-((6-(4-methyl-2-phenylthiazol-5-yl)pyridazin-3-yl)thio)acetamide
CID 16019403
N-(5-chloro-2-methoxyphenyl)-2-((6-(2,4-dimethylthiazol-5-yl)pyridazin-3-yl)thio)acetamide
CID 16031993
2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide
CID 7207557
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-methoxyphenyl)-2-((6-(thiophen-2-yl)pyridazin-3-yl)thio)acetamide
CID 16019264

Frequently Asked Questions

What is the IUPAC name of 2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanyl-N-(3-methoxyphenyl)acetamide?
The IUPAC name of 2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanyl-N-(3-methoxyphenyl)acetamide (CID 7222584) is 2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanyl-N-(3-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanyl-N-(3-methoxyphenyl)acetamide?
The canonical SMILES for 2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanyl-N-(3-methoxyphenyl)acetamide is COc1cccc(NC(=O)CSc2ccc(-c3sc(C)nc3C)nn2)c1.
What is the InChIKey of 2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanyl-N-(3-methoxyphenyl)acetamide?
The InChIKey is XKEMWIBTCZNUST-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2S2/c1-11-18(26-12(2)19-11)15-7-8-17(22-21-15)25-10-16(23)20-13-5-4-6-14(9-13)24-3/h4-9H,10H2,1-3H3,(H,20,23).
What are the key properties of 2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanyl-N-(3-methoxyphenyl)acetamide?
2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanyl-N-(3-methoxyphenyl)acetamide has a molecular weight of 386.50 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanyl-N-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 7222584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).