2-[[1-(2-methyl-1,3-thiazole-4-carbonyl)azetidin-3-yl]methyl]-6-pyridin-3-ylpyridazin-3-one

C18H17N5O2S — CID 126929278

IUPAC2-[[1-(2-methyl-1,3-thiazole-4-carbonyl)azetidin-3-yl]methyl]-6-pyridin-3-ylpyridazin-3-one
SMILESCc1nc(C(=O)N2CC(Cn3nc(-c4cccnc4)ccc3=O)C2)cs1
InChIInChI=1S/C18H17N5O2S/c1-12-20-16(11-26-12)18(25)22-8-13(9-22)10-23-17(24)5-4-15(21-23)14-3-2-6-19-7-14/h2-7,11,13H,8-10H2,1H3
InChIKeyIBDPQTJGHAPMMX-UHFFFAOYSA-N
MW367.43 g/mol
LogP1.84
Rot. Bonds4

About 2-[[1-(2-methyl-1,3-thiazole-4-carbonyl)azetidin-3-yl]methyl]-6-pyridin-3-ylpyridazin-3-one

2-[[1-(2-methyl-1,3-thiazole-4-carbonyl)azetidin-3-yl]methyl]-6-pyridin-3-ylpyridazin-3-one (PubChem CID 126929278) has the molecular formula C18H17N5O2S and a molecular weight of 367.43 g/mol. Its IUPAC name is 2-[[1-(2-methyl-1,3-thiazole-4-carbonyl)azetidin-3-yl]methyl]-6-pyridin-3-ylpyridazin-3-one.

Molecular Properties

Compound Name2-[[1-(2-methyl-1,3-thiazole-4-carbonyl)azetidin-3-yl]methyl]-6-pyridin-3-ylpyridazin-3-one
PubChem CID126929278
Molecular FormulaC18H17N5O2S
Molecular Weight367.43 g/mol
Exact Mass367.11
IUPAC Name2-[[1-(2-methyl-1,3-thiazole-4-carbonyl)azetidin-3-yl]methyl]-6-pyridin-3-ylpyridazin-3-one
SMILESCc1nc(C(=O)N2CC(Cn3nc(-c4cccnc4)ccc3=O)C2)cs1
InChIInChI=1S/C18H17N5O2S/c1-12-20-16(11-26-12)18(25)22-8-13(9-22)10-23-17(24)5-4-15(21-23)14-3-2-6-19-7-14/h2-7,11,13H,8-10H2,1H3
InChIKeyIBDPQTJGHAPMMX-UHFFFAOYSA-N
XLogP1.84
TPSA80.98 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[[1-(2-methyl-1,3-thiazole-4-carbonyl)azetidin-3-yl]methyl]-6-pyridin-3-ylpyridazin-3-one with MolForge

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Related Compounds

6-pyridin-3-yl-2-[[1-[6-(trifluoromethyl)pyridine-3-carbonyl]azetidin-3-yl]methyl]pyridazin-3-one
CID 126929268
2-[[1-(cyclohex-3-ene-1-carbonyl)azetidin-3-yl]methyl]-6-pyridin-3-ylpyridazin-3-one
CID 126929267
6-cyclopropyl-2-[[1-(2-methyl-1,3-thiazole-4-carbonyl)piperidin-4-yl]methyl]pyridazin-3-one
CID 126865169
2-[2-[4-(2-methyl-1,3-thiazole-4-carbonyl)piperazin-1-yl]ethyl]-6-pyridin-4-ylpyridazin-3-one
CID 126915803
2-[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methyl]-6-pyridin-3-ylpyridazin-3-one
CID 126929341
2-[[1-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)azetidin-3-yl]methyl]-6-pyridin-3-ylpyridazin-3-one
CID 126929260
2-methyl-N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)oxolan-3-yl]-1,3-thiazole-4-carboxamide
CID 126940053
2-[[1-(isoquinoline-1-carbonyl)azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126929610
2-[[1-[(1-acetylpyrrolidin-2-yl)methyl]azetidin-3-yl]methyl]-6-pyridin-3-ylpyridazin-3-one
CID 126929481
3-methyl-2-[3-[(6-oxo-3-pyridin-3-ylpyridazin-1-yl)methyl]azetidin-1-yl]pyrido[2,3-d]pyrimidin-4-one
CID 126929579
2-[[1-[(1-methyl-6-oxopiperidin-2-yl)methyl]azetidin-3-yl]methyl]-6-pyridin-3-ylpyridazin-3-one
CID 126929413
2-[[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)azetidin-3-yl]methyl]-6-pyridin-3-ylpyridazin-3-one
CID 126929388

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2-methyl-1,3-thiazole-4-carbonyl)azetidin-3-yl]methyl]-6-pyridin-3-ylpyridazin-3-one?
The IUPAC name of 2-[[1-(2-methyl-1,3-thiazole-4-carbonyl)azetidin-3-yl]methyl]-6-pyridin-3-ylpyridazin-3-one (CID 126929278) is 2-[[1-(2-methyl-1,3-thiazole-4-carbonyl)azetidin-3-yl]methyl]-6-pyridin-3-ylpyridazin-3-one.
What is the SMILES notation for 2-[[1-(2-methyl-1,3-thiazole-4-carbonyl)azetidin-3-yl]methyl]-6-pyridin-3-ylpyridazin-3-one?
The canonical SMILES for 2-[[1-(2-methyl-1,3-thiazole-4-carbonyl)azetidin-3-yl]methyl]-6-pyridin-3-ylpyridazin-3-one is Cc1nc(C(=O)N2CC(Cn3nc(-c4cccnc4)ccc3=O)C2)cs1.
What is the InChIKey of 2-[[1-(2-methyl-1,3-thiazole-4-carbonyl)azetidin-3-yl]methyl]-6-pyridin-3-ylpyridazin-3-one?
The InChIKey is IBDPQTJGHAPMMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2S/c1-12-20-16(11-26-12)18(25)22-8-13(9-22)10-23-17(24)5-4-15(21-23)14-3-2-6-19-7-14/h2-7,11,13H,8-10H2,1H3.
What are the key properties of 2-[[1-(2-methyl-1,3-thiazole-4-carbonyl)azetidin-3-yl]methyl]-6-pyridin-3-ylpyridazin-3-one?
2-[[1-(2-methyl-1,3-thiazole-4-carbonyl)azetidin-3-yl]methyl]-6-pyridin-3-ylpyridazin-3-one has a molecular weight of 367.43 g/mol, XLogP of 1.84, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2-methyl-1,3-thiazole-4-carbonyl)azetidin-3-yl]methyl]-6-pyridin-3-ylpyridazin-3-one is sourced from PubChem (CID 126929278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).