2-methyl-5-[(1R)-1-phenylethyl]-7-thiophen-2-yl-[1,3]thiazolo[4,5-d]pyridazin-4-one

C18H15N3OS2 — CID 40884977

IUPAC2-methyl-5-[(1R)-1-phenylethyl]-7-thiophen-2-yl-[1,3]thiazolo[4,5-d]pyridazin-4-one
SMILESCc1nc2c(=O)n([C@H](C)c3ccccc3)nc(-c3cccs3)c2s1
InChIInChI=1S/C18H15N3OS2/c1-11(13-7-4-3-5-8-13)21-18(22)16-17(24-12(2)19-16)15(20-21)14-9-6-10-23-14/h3-11H,1-2H3/t11-/m1/s1
InChIKeyWXGYLBWKJFZJMO-LLVKDONJSA-N
MW353.47 g/mol
LogP4.50
Rot. Bonds3

About 2-methyl-5-[(1R)-1-phenylethyl]-7-thiophen-2-yl-[1,3]thiazolo[4,5-d]pyridazin-4-one

2-methyl-5-[(1R)-1-phenylethyl]-7-thiophen-2-yl-[1,3]thiazolo[4,5-d]pyridazin-4-one (PubChem CID 40884977) has the molecular formula C18H15N3OS2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 2-methyl-5-[(1R)-1-phenylethyl]-7-thiophen-2-yl-[1,3]thiazolo[4,5-d]pyridazin-4-one.

Molecular Properties

Compound Name2-methyl-5-[(1R)-1-phenylethyl]-7-thiophen-2-yl-[1,3]thiazolo[4,5-d]pyridazin-4-one
PubChem CID40884977
Molecular FormulaC18H15N3OS2
Molecular Weight353.47 g/mol
Exact Mass353.07
IUPAC Name2-methyl-5-[(1R)-1-phenylethyl]-7-thiophen-2-yl-[1,3]thiazolo[4,5-d]pyridazin-4-one
SMILESCc1nc2c(=O)n([C@H](C)c3ccccc3)nc(-c3cccs3)c2s1
InChIInChI=1S/C18H15N3OS2/c1-11(13-7-4-3-5-8-13)21-18(22)16-17(24-12(2)19-16)15(20-21)14-9-6-10-23-14/h3-11H,1-2H3/t11-/m1/s1
InChIKeyWXGYLBWKJFZJMO-LLVKDONJSA-N
XLogP4.50
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-methyl-5-[(1R)-1-phenylethyl]-7-thiophen-2-yl-[1,3]thiazolo[4,5-d]pyridazin-4-one with MolForge

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Related Compounds

7-(3,4-dimethoxyphenyl)-2-methyl-5-[(1R)-1-phenylethyl]-[1,3]thiazolo[4,5-d]pyridazin-4-one
CID 40884943
7-(3-methoxyphenyl)-2-methyl-5-[(1S)-1-phenylethyl]-[1,3]thiazolo[4,5-d]pyridazin-4-one
CID 40884972
N-(3,4-dichlorophenyl)-2-(2-methyl-4-oxo-7-thiophen-2-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide
CID 16906716
2-[(2-methyl-7-thiophen-2-yl-[1,3]thiazolo[4,5-d]pyridazin-4-yl)sulfanyl]-N-phenyl-N-propan-2-ylacetamide
CID 16858332
2,6-dimethyl-4,8-dithiophen-2-yl-[1,3]thiazolo[5,4-f][1,3]benzothiazole
CID 102344435
2-methyl-4-(2-phenylethylsulfanyl)-7-thiophen-2-yl-[1,3]thiazolo[4,5-d]pyridazine
CID 16858323
2-(2-methyl-4-oxo-7-thiophen-2-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 16906658
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methyl-4-oxo-7-thiophen-2-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide
CID 16906654
3-(1-phenylethyl)-2-thiophen-2-ylthiochromeno[2,3-d]pyrimidine-4,5-dione
CID 4887767
N-(2-methylphenyl)-2-[(2-methyl-7-thiophen-2-yl-[1,3]thiazolo[4,5-d]pyridazin-4-yl)sulfanyl]acetamide
CID 16858222
1-(1-phenylethyl)-5-thiophen-2-yltriazole-4-carbaldehyde
CID 82206205
2-[(2-methyl-7-thiophen-2-yl-[1,3]thiazolo[4,5-d]pyridazin-4-yl)sulfanyl]-1-piperidin-1-ylethanone
CID 16858213

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(1R)-1-phenylethyl]-7-thiophen-2-yl-[1,3]thiazolo[4,5-d]pyridazin-4-one?
The IUPAC name of 2-methyl-5-[(1R)-1-phenylethyl]-7-thiophen-2-yl-[1,3]thiazolo[4,5-d]pyridazin-4-one (CID 40884977) is 2-methyl-5-[(1R)-1-phenylethyl]-7-thiophen-2-yl-[1,3]thiazolo[4,5-d]pyridazin-4-one.
What is the SMILES notation for 2-methyl-5-[(1R)-1-phenylethyl]-7-thiophen-2-yl-[1,3]thiazolo[4,5-d]pyridazin-4-one?
The canonical SMILES for 2-methyl-5-[(1R)-1-phenylethyl]-7-thiophen-2-yl-[1,3]thiazolo[4,5-d]pyridazin-4-one is Cc1nc2c(=O)n([C@H](C)c3ccccc3)nc(-c3cccs3)c2s1.
What is the InChIKey of 2-methyl-5-[(1R)-1-phenylethyl]-7-thiophen-2-yl-[1,3]thiazolo[4,5-d]pyridazin-4-one?
The InChIKey is WXGYLBWKJFZJMO-LLVKDONJSA-N. The full InChI is InChI=1S/C18H15N3OS2/c1-11(13-7-4-3-5-8-13)21-18(22)16-17(24-12(2)19-16)15(20-21)14-9-6-10-23-14/h3-11H,1-2H3/t11-/m1/s1.
What are the key properties of 2-methyl-5-[(1R)-1-phenylethyl]-7-thiophen-2-yl-[1,3]thiazolo[4,5-d]pyridazin-4-one?
2-methyl-5-[(1R)-1-phenylethyl]-7-thiophen-2-yl-[1,3]thiazolo[4,5-d]pyridazin-4-one has a molecular weight of 353.47 g/mol, XLogP of 4.50, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(1R)-1-phenylethyl]-7-thiophen-2-yl-[1,3]thiazolo[4,5-d]pyridazin-4-one is sourced from PubChem (CID 40884977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).