1-(3,6-dimethylpyridazin-4-yl)-2-(1,3-thiazol-2-yl)ethanone

C11H11N3OS — CID 105118017

IUPAC1-(3,6-dimethylpyridazin-4-yl)-2-(1,3-thiazol-2-yl)ethanone
SMILESCc1cc(C(=O)Cc2nccs2)c(C)nn1
InChIInChI=1S/C11H11N3OS/c1-7-5-9(8(2)14-13-7)10(15)6-11-12-3-4-16-11/h3-5H,6H2,1-2H3
InChIKeyPEYLRMSYHBHVIS-UHFFFAOYSA-N
MW233.30 g/mol
LogP1.98
Rot. Bonds3

About 1-(3,6-dimethylpyridazin-4-yl)-2-(1,3-thiazol-2-yl)ethanone

1-(3,6-dimethylpyridazin-4-yl)-2-(1,3-thiazol-2-yl)ethanone (PubChem CID 105118017) has the molecular formula C11H11N3OS and a molecular weight of 233.30 g/mol. Its IUPAC name is 1-(3,6-dimethylpyridazin-4-yl)-2-(1,3-thiazol-2-yl)ethanone.

Molecular Properties

Compound Name1-(3,6-dimethylpyridazin-4-yl)-2-(1,3-thiazol-2-yl)ethanone
PubChem CID105118017
Molecular FormulaC11H11N3OS
Molecular Weight233.30 g/mol
Exact Mass233.06
IUPAC Name1-(3,6-dimethylpyridazin-4-yl)-2-(1,3-thiazol-2-yl)ethanone
SMILESCc1cc(C(=O)Cc2nccs2)c(C)nn1
InChIInChI=1S/C11H11N3OS/c1-7-5-9(8(2)14-13-7)10(15)6-11-12-3-4-16-11/h3-5H,6H2,1-2H3
InChIKeyPEYLRMSYHBHVIS-UHFFFAOYSA-N
XLogP1.98
TPSA55.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.30
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-methoxy-5-methylphenyl)-2-(1,3-thiazol-2-yl)ethanone
CID 115786541
1-(4-methyl-2-pyridinyl)-2-(1,3-thiazol-2-yl)ethanone
CID 79823558
1-(2-chloro-3-methylphenyl)-2-(1,3-thiazol-2-yl)ethanone
CID 115786506
1-(3,6-dimethylpyridazin-4-yl)-3-methylsulfonylpropan-1-one
CID 114983917
1-(3,6-dimethylpyridazin-4-yl)-2-naphthalen-1-ylethanone
CID 105087972
1-(4-chloro-2-fluorophenyl)-2-(1,3-thiazol-2-yl)ethanone
CID 112731600
1-(3-aminonaphthalen-2-yl)-2-(1,3-thiazol-2-yl)ethanone
CID 116560365
1-phenyl-2-(1,3-thiazol-2-yl)ethanone;hydrobromide
CID 173018716
1-[2-bromo-5-(trifluoromethyl)phenyl]-2-(1,3-thiazol-2-yl)ethanone
CID 115786406
2-(1,3-thiazol-2-ylmethyl)prop-2-enamide
CID 57004643
1-(1,3-thiazol-2-yl)pentan-2-one
CID 63199328
1-(4-amino-3,5-dichlorophenyl)-2-(1,3-thiazol-2-yl)ethanone
CID 116609810

Frequently Asked Questions

What is the IUPAC name of 1-(3,6-dimethylpyridazin-4-yl)-2-(1,3-thiazol-2-yl)ethanone?
The IUPAC name of 1-(3,6-dimethylpyridazin-4-yl)-2-(1,3-thiazol-2-yl)ethanone (CID 105118017) is 1-(3,6-dimethylpyridazin-4-yl)-2-(1,3-thiazol-2-yl)ethanone.
What is the SMILES notation for 1-(3,6-dimethylpyridazin-4-yl)-2-(1,3-thiazol-2-yl)ethanone?
The canonical SMILES for 1-(3,6-dimethylpyridazin-4-yl)-2-(1,3-thiazol-2-yl)ethanone is Cc1cc(C(=O)Cc2nccs2)c(C)nn1.
What is the InChIKey of 1-(3,6-dimethylpyridazin-4-yl)-2-(1,3-thiazol-2-yl)ethanone?
The InChIKey is PEYLRMSYHBHVIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3OS/c1-7-5-9(8(2)14-13-7)10(15)6-11-12-3-4-16-11/h3-5H,6H2,1-2H3.
What are the key properties of 1-(3,6-dimethylpyridazin-4-yl)-2-(1,3-thiazol-2-yl)ethanone?
1-(3,6-dimethylpyridazin-4-yl)-2-(1,3-thiazol-2-yl)ethanone has a molecular weight of 233.30 g/mol, XLogP of 1.98, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,6-dimethylpyridazin-4-yl)-2-(1,3-thiazol-2-yl)ethanone is sourced from PubChem (CID 105118017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).