3-methyl-5-(1,3-thiazol-2-yl)-[1,2]thiazolo[4,5-d]pyridazin-4-one

C9H6N4OS2 — CID 167852082

IUPAC3-methyl-5-(1,3-thiazol-2-yl)-[1,2]thiazolo[4,5-d]pyridazin-4-one
SMILESCc1nsc2cnn(-c3nccs3)c(=O)c12
InChIInChI=1S/C9H6N4OS2/c1-5-7-6(16-12-5)4-11-13(8(7)14)9-10-2-3-15-9/h2-4H,1H3
InChIKeySTPBKMMWJNFTRB-UHFFFAOYSA-N
MW250.31 g/mol
LogP1.61
Rot. Bonds1

About 3-methyl-5-(1,3-thiazol-2-yl)-[1,2]thiazolo[4,5-d]pyridazin-4-one

3-methyl-5-(1,3-thiazol-2-yl)-[1,2]thiazolo[4,5-d]pyridazin-4-one (PubChem CID 167852082) has the molecular formula C9H6N4OS2 and a molecular weight of 250.31 g/mol. Its IUPAC name is 3-methyl-5-(1,3-thiazol-2-yl)-[1,2]thiazolo[4,5-d]pyridazin-4-one.

Molecular Properties

Compound Name3-methyl-5-(1,3-thiazol-2-yl)-[1,2]thiazolo[4,5-d]pyridazin-4-one
PubChem CID167852082
Molecular FormulaC9H6N4OS2
Molecular Weight250.31 g/mol
Exact Mass250.00
IUPAC Name3-methyl-5-(1,3-thiazol-2-yl)-[1,2]thiazolo[4,5-d]pyridazin-4-one
SMILESCc1nsc2cnn(-c3nccs3)c(=O)c12
InChIInChI=1S/C9H6N4OS2/c1-5-7-6(16-12-5)4-11-13(8(7)14)9-10-2-3-15-9/h2-4H,1H3
InChIKeySTPBKMMWJNFTRB-UHFFFAOYSA-N
XLogP1.61
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

6-[3-(azetidin-1-yl)phenyl]-5,7-dimethyl-3-(1,3-thiazol-2-yl)pyrrolo[3,4-d]pyridazin-4-one
CID 170983353
2-(1,3-thiazol-2-yl)pyrazol-3-amine
CID 82879868
2-(1,3-thiazol-2-yl)-1,2,4-triazole-3-carboxylic acid
CID 168950769
3,5-dimethyl-1-(1,3-thiazol-2-yl)pyrazol-4-amine
CID 61176031
ethyl 5-amino-1-(1,3-thiazol-2-yl)pyrazole-4-carboxylate
CID 14051868
6,6-difluoro-1-(1,3-thiazol-2-yl)-5H-cyclopenta[d]pyrazol-4-one
CID 178080294
5-ethyl-1-(1,3-thiazol-2-yl)pyrazole-4-carboxylic acid
CID 176658912
6-methyl-1-(1,3-thiazol-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 82880801
2-(4-chloro-6-methylpyrazolo[5,4-d]pyrimidin-1-yl)-1,3-thiazole
CID 82880870
N-[[5-methyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]methyl]propan-1-amine
CID 82878910
3-methyl-4-nitro-1-(1,3-thiazol-2-yl)pyrazol-5-amine
CID 82878905
4-cyano-3-methyl-1-(1,3-thiazol-2-yl)pyrazole-5-sulfonamide
CID 116647294

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(1,3-thiazol-2-yl)-[1,2]thiazolo[4,5-d]pyridazin-4-one?
The IUPAC name of 3-methyl-5-(1,3-thiazol-2-yl)-[1,2]thiazolo[4,5-d]pyridazin-4-one (CID 167852082) is 3-methyl-5-(1,3-thiazol-2-yl)-[1,2]thiazolo[4,5-d]pyridazin-4-one.
What is the SMILES notation for 3-methyl-5-(1,3-thiazol-2-yl)-[1,2]thiazolo[4,5-d]pyridazin-4-one?
The canonical SMILES for 3-methyl-5-(1,3-thiazol-2-yl)-[1,2]thiazolo[4,5-d]pyridazin-4-one is Cc1nsc2cnn(-c3nccs3)c(=O)c12.
What is the InChIKey of 3-methyl-5-(1,3-thiazol-2-yl)-[1,2]thiazolo[4,5-d]pyridazin-4-one?
The InChIKey is STPBKMMWJNFTRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N4OS2/c1-5-7-6(16-12-5)4-11-13(8(7)14)9-10-2-3-15-9/h2-4H,1H3.
What are the key properties of 3-methyl-5-(1,3-thiazol-2-yl)-[1,2]thiazolo[4,5-d]pyridazin-4-one?
3-methyl-5-(1,3-thiazol-2-yl)-[1,2]thiazolo[4,5-d]pyridazin-4-one has a molecular weight of 250.31 g/mol, XLogP of 1.61, 1 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(1,3-thiazol-2-yl)-[1,2]thiazolo[4,5-d]pyridazin-4-one is sourced from PubChem (CID 167852082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).