5-(4-methoxyphenyl)-2,7-dimethyl-[1,3]thiazolo[4,5-d]pyridazin-4-one

C14H13N3O2S — CID 2745472

IUPAC5-(4-methoxyphenyl)-2,7-dimethyl-[1,3]thiazolo[4,5-d]pyridazin-4-one
SMILESCOc1ccc(-n2nc(C)c3sc(C)nc3c2=O)cc1
InChIInChI=1S/C14H13N3O2S/c1-8-13-12(15-9(2)20-13)14(18)17(16-8)10-4-6-11(19-3)7-5-10/h4-7H,1-3H3
InChIKeyCLFOFVXHRCXZDG-UHFFFAOYSA-N
MW287.34 g/mol
LogP2.47
Rot. Bonds2

About 5-(4-methoxyphenyl)-2,7-dimethyl-[1,3]thiazolo[4,5-d]pyridazin-4-one

5-(4-methoxyphenyl)-2,7-dimethyl-[1,3]thiazolo[4,5-d]pyridazin-4-one (PubChem CID 2745472) has the molecular formula C14H13N3O2S and a molecular weight of 287.34 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-2,7-dimethyl-[1,3]thiazolo[4,5-d]pyridazin-4-one.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-2,7-dimethyl-[1,3]thiazolo[4,5-d]pyridazin-4-one
PubChem CID2745472
Molecular FormulaC14H13N3O2S
Molecular Weight287.34 g/mol
Exact Mass287.07
IUPAC Name5-(4-methoxyphenyl)-2,7-dimethyl-[1,3]thiazolo[4,5-d]pyridazin-4-one
SMILESCOc1ccc(-n2nc(C)c3sc(C)nc3c2=O)cc1
InChIInChI=1S/C14H13N3O2S/c1-8-13-12(15-9(2)20-13)14(18)17(16-8)10-4-6-11(19-3)7-5-10/h4-7H,1-3H3
InChIKeyCLFOFVXHRCXZDG-UHFFFAOYSA-N
XLogP2.47
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-ethynyl-N-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 168270993
2-chloro-N-(4-methoxyphenyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide
CID 850475
5-(4-Methoxy-phenylamino)-2-methyl-benzothiazole-4,7-dione
CID 11722322
6-(4-Methoxyanilino)-2,5-dimethyl-1,3-benzothiazole-4,7-dione
CID 511630
2-(7-(4-fluorophenyl)-2-methyl-4-oxothiazolo[4,5-d]pyridazin-5(4H)-yl)-N-(4-methoxyphenyl)acetamide
CID 16802329
(2-Chloro-5-isopropylthiazol-4-yl)(4-(4-methoxyphenyl)piperazin-1-yl)methanone
CID 71701623
2-Ethyl-5-{2-[4-(3-methoxyphenyl)piperazin-1-YL]-2-oxoethyl}-7-methyl-4H,5H-[1,3]thiazolo[4,5-D]pyridazin-4-one
CID 71840136
2-Methyl-5-[4-(trifluoromethoxy)phenyl]-[1,3]thiazolo[5,4-c]pyridin-4-one
CID 117880280
5-{2-[4-(4-Methoxyphenyl)piperazin-1-YL]-2-oxoethyl}-7-methyl-2-(propan-2-YL)-4H,5H-[1,3]thiazolo[4,5-D]pyridazin-4-one
CID 71840067
N-[4-(difluoromethoxy)phenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 26894836
C12H8ClF3N2O2S
CID 75489943
N-(4-methoxyphenyl)-4-methyl-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 110676695

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-2,7-dimethyl-[1,3]thiazolo[4,5-d]pyridazin-4-one?
The IUPAC name of 5-(4-methoxyphenyl)-2,7-dimethyl-[1,3]thiazolo[4,5-d]pyridazin-4-one (CID 2745472) is 5-(4-methoxyphenyl)-2,7-dimethyl-[1,3]thiazolo[4,5-d]pyridazin-4-one.
What is the SMILES notation for 5-(4-methoxyphenyl)-2,7-dimethyl-[1,3]thiazolo[4,5-d]pyridazin-4-one?
The canonical SMILES for 5-(4-methoxyphenyl)-2,7-dimethyl-[1,3]thiazolo[4,5-d]pyridazin-4-one is COc1ccc(-n2nc(C)c3sc(C)nc3c2=O)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-2,7-dimethyl-[1,3]thiazolo[4,5-d]pyridazin-4-one?
The InChIKey is CLFOFVXHRCXZDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2S/c1-8-13-12(15-9(2)20-13)14(18)17(16-8)10-4-6-11(19-3)7-5-10/h4-7H,1-3H3.
What are the key properties of 5-(4-methoxyphenyl)-2,7-dimethyl-[1,3]thiazolo[4,5-d]pyridazin-4-one?
5-(4-methoxyphenyl)-2,7-dimethyl-[1,3]thiazolo[4,5-d]pyridazin-4-one has a molecular weight of 287.34 g/mol, XLogP of 2.47, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-2,7-dimethyl-[1,3]thiazolo[4,5-d]pyridazin-4-one is sourced from PubChem (CID 2745472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).