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

C9H9N3OS — CID 141198028

IUPAC2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridazin-3-one
SMILESCc1nc(Cn2ncccc2=O)cs1
InChIInChI=1S/C9H9N3OS/c1-7-11-8(6-14-7)5-12-9(13)3-2-4-10-12/h2-4,6H,5H2,1H3
InChIKeyXBDNNXLGECMEIC-UHFFFAOYSA-N
MW207.26 g/mol
LogP1.06
Rot. Bonds2

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

2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridazin-3-one (PubChem CID 141198028) has the molecular formula C9H9N3OS and a molecular weight of 207.26 g/mol. Its IUPAC name is 2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridazin-3-one.

Molecular Properties

Compound Name2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridazin-3-one
PubChem CID141198028
Molecular FormulaC9H9N3OS
Molecular Weight207.26 g/mol
Exact Mass207.05
IUPAC Name2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridazin-3-one
SMILESCc1nc(Cn2ncccc2=O)cs1
InChIInChI=1S/C9H9N3OS/c1-7-11-8(6-14-7)5-12-9(13)3-2-4-10-12/h2-4,6H,5H2,1H3
InChIKeyXBDNNXLGECMEIC-UHFFFAOYSA-N
XLogP1.06
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.26
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-amino-1,3-thiazol-4-yl)methyl]pyridazin-3-one
CID 62850138
6-amino-2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridazin-3-one
CID 116788406
3-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridin-2-one
CID 115610775
4-[(2,3-dimethylpyrrol-1-yl)methyl]-2-methyl-1,3-thiazole
CID 141136037
3-amino-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridin-4-one
CID 82991105
3-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazolidine-2,4-dione
CID 103601183
1-[(2-methyl-1,3-thiazol-4-yl)methyl]indazole-3-carboxylic acid
CID 55177822
2-methyl-4-(1,2,4,5-tetrahydro-3-benzazepin-3-ylmethyl)-1,3-thiazole
CID 157011120
4-(chloromethyl)-2-methyl-1,3-thiazole;dihydrochloride
CID 133061330
3-bromo-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridin-2-amine
CID 55207392
5,5-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-diazinane-2,4,6-trione
CID 112599943
4-[[4-(3-bromo-2-pyridinyl)piperazin-1-yl]methyl]-2-methyl-1,3-thiazole
CID 166600976

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridazin-3-one?
The IUPAC name of 2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridazin-3-one (CID 141198028) is 2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridazin-3-one.
What is the SMILES notation for 2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridazin-3-one?
The canonical SMILES for 2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridazin-3-one is Cc1nc(Cn2ncccc2=O)cs1.
What is the InChIKey of 2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridazin-3-one?
The InChIKey is XBDNNXLGECMEIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3OS/c1-7-11-8(6-14-7)5-12-9(13)3-2-4-10-12/h2-4,6H,5H2,1H3.
What are the key properties of 2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridazin-3-one?
2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridazin-3-one has a molecular weight of 207.26 g/mol, XLogP of 1.06, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridazin-3-one is sourced from PubChem (CID 141198028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).