4-[[3-[3-(6-methoxypyridazin-3-yl)phenyl]pyrazol-1-yl]methyl]-2-methyl-1,3-thiazole

C19H17N5OS — CID 30936590

IUPAC4-[[3-[3-(6-methoxypyridazin-3-yl)phenyl]pyrazol-1-yl]methyl]-2-methyl-1,3-thiazole
SMILESCOc1ccc(-c2cccc(-c3ccn(Cc4csc(C)n4)n3)c2)nn1
InChIInChI=1S/C19H17N5OS/c1-13-20-16(12-26-13)11-24-9-8-18(23-24)15-5-3-4-14(10-15)17-6-7-19(25-2)22-21-17/h3-10,12H,11H2,1-2H3
InChIKeyTZUCVRWXCDWJFH-UHFFFAOYSA-N
MW363.45 g/mol
LogP3.83
Rot. Bonds5

About 4-[[3-[3-(6-methoxypyridazin-3-yl)phenyl]pyrazol-1-yl]methyl]-2-methyl-1,3-thiazole

4-[[3-[3-(6-methoxypyridazin-3-yl)phenyl]pyrazol-1-yl]methyl]-2-methyl-1,3-thiazole (PubChem CID 30936590) has the molecular formula C19H17N5OS and a molecular weight of 363.45 g/mol. Its IUPAC name is 4-[[3-[3-(6-methoxypyridazin-3-yl)phenyl]pyrazol-1-yl]methyl]-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-[[3-[3-(6-methoxypyridazin-3-yl)phenyl]pyrazol-1-yl]methyl]-2-methyl-1,3-thiazole
PubChem CID30936590
Molecular FormulaC19H17N5OS
Molecular Weight363.45 g/mol
Exact Mass363.12
IUPAC Name4-[[3-[3-(6-methoxypyridazin-3-yl)phenyl]pyrazol-1-yl]methyl]-2-methyl-1,3-thiazole
SMILESCOc1ccc(-c2cccc(-c3ccn(Cc4csc(C)n4)n3)c2)nn1
InChIInChI=1S/C19H17N5OS/c1-13-20-16(12-26-13)11-24-9-8-18(23-24)15-5-3-4-14(10-15)17-6-7-19(25-2)22-21-17/h3-10,12H,11H2,1-2H3
InChIKeyTZUCVRWXCDWJFH-UHFFFAOYSA-N
XLogP3.83
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.45
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-[3-(6-methoxypyridazin-3-yl)phenyl]pyrazol-1-yl]methyl]-2-methyl-1,3-thiazole?
The IUPAC name of 4-[[3-[3-(6-methoxypyridazin-3-yl)phenyl]pyrazol-1-yl]methyl]-2-methyl-1,3-thiazole (CID 30936590) is 4-[[3-[3-(6-methoxypyridazin-3-yl)phenyl]pyrazol-1-yl]methyl]-2-methyl-1,3-thiazole.
What is the SMILES notation for 4-[[3-[3-(6-methoxypyridazin-3-yl)phenyl]pyrazol-1-yl]methyl]-2-methyl-1,3-thiazole?
The canonical SMILES for 4-[[3-[3-(6-methoxypyridazin-3-yl)phenyl]pyrazol-1-yl]methyl]-2-methyl-1,3-thiazole is COc1ccc(-c2cccc(-c3ccn(Cc4csc(C)n4)n3)c2)nn1.
What is the InChIKey of 4-[[3-[3-(6-methoxypyridazin-3-yl)phenyl]pyrazol-1-yl]methyl]-2-methyl-1,3-thiazole?
The InChIKey is TZUCVRWXCDWJFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5OS/c1-13-20-16(12-26-13)11-24-9-8-18(23-24)15-5-3-4-14(10-15)17-6-7-19(25-2)22-21-17/h3-10,12H,11H2,1-2H3.
What are the key properties of 4-[[3-[3-(6-methoxypyridazin-3-yl)phenyl]pyrazol-1-yl]methyl]-2-methyl-1,3-thiazole?
4-[[3-[3-(6-methoxypyridazin-3-yl)phenyl]pyrazol-1-yl]methyl]-2-methyl-1,3-thiazole has a molecular weight of 363.45 g/mol, XLogP of 3.83, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-[3-(6-methoxypyridazin-3-yl)phenyl]pyrazol-1-yl]methyl]-2-methyl-1,3-thiazole is sourced from PubChem (CID 30936590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).