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

C17H16N4O3S2 — CID 7502637

IUPAC2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide
SMILESCOc1ccc(-c2ccc(SCC(=O)Nc3nccs3)nn2)cc1OC
InChIInChI=1S/C17H16N4O3S2/c1-23-13-5-3-11(9-14(13)24-2)12-4-6-16(21-20-12)26-10-15(22)19-17-18-7-8-25-17/h3-9H,10H2,1-2H3,(H,18,19,22)
InChIKeyMWMONSRQFMMZRL-UHFFFAOYSA-N
MW388.47 g/mol
LogP3.35
Rot. Bonds7

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

2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 7502637) has the molecular formula C17H16N4O3S2 and a molecular weight of 388.47 g/mol. Its IUPAC name is 2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide
PubChem CID7502637
Molecular FormulaC17H16N4O3S2
Molecular Weight388.47 g/mol
Exact Mass388.07
IUPAC Name2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide
SMILESCOc1ccc(-c2ccc(SCC(=O)Nc3nccs3)nn2)cc1OC
InChIInChI=1S/C17H16N4O3S2/c1-23-13-5-3-11(9-14(13)24-2)12-4-6-16(21-20-12)26-10-15(22)19-17-18-7-8-25-17/h3-9H,10H2,1-2H3,(H,18,19,22)
InChIKeyMWMONSRQFMMZRL-UHFFFAOYSA-N
XLogP3.35
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide (CID 7502637) is 2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide is COc1ccc(-c2ccc(SCC(=O)Nc3nccs3)nn2)cc1OC.
What is the InChIKey of 2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is MWMONSRQFMMZRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3S2/c1-23-13-5-3-11(9-14(13)24-2)12-4-6-16(21-20-12)26-10-15(22)19-17-18-7-8-25-17/h3-9H,10H2,1-2H3,(H,18,19,22).
What are the key properties of 2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide?
2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 388.47 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 7502637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).