2-[4-[[2-(dimethylamino)-1,3-thiazol-5-yl]methylamino]oxolan-3-yl]-6-methylpyridazin-3-one

C15H21N5O2S — CID 126938880

IUPAC2-[4-[[2-(dimethylamino)-1,3-thiazol-5-yl]methylamino]oxolan-3-yl]-6-methylpyridazin-3-one
SMILESCc1ccc(=O)n(C2COCC2NCc2cnc(N(C)C)s2)n1
InChIInChI=1S/C15H21N5O2S/c1-10-4-5-14(21)20(18-10)13-9-22-8-12(13)16-6-11-7-17-15(23-11)19(2)3/h4-5,7,12-13,16H,6,8-9H2,1-3H3
InChIKeyQUODJKKPTMKFKI-UHFFFAOYSA-N
MW335.43 g/mol
LogP0.80
Rot. Bonds5

About 2-[4-[[2-(dimethylamino)-1,3-thiazol-5-yl]methylamino]oxolan-3-yl]-6-methylpyridazin-3-one

2-[4-[[2-(dimethylamino)-1,3-thiazol-5-yl]methylamino]oxolan-3-yl]-6-methylpyridazin-3-one (PubChem CID 126938880) has the molecular formula C15H21N5O2S and a molecular weight of 335.43 g/mol. Its IUPAC name is 2-[4-[[2-(dimethylamino)-1,3-thiazol-5-yl]methylamino]oxolan-3-yl]-6-methylpyridazin-3-one.

Molecular Properties

Compound Name2-[4-[[2-(dimethylamino)-1,3-thiazol-5-yl]methylamino]oxolan-3-yl]-6-methylpyridazin-3-one
PubChem CID126938880
Molecular FormulaC15H21N5O2S
Molecular Weight335.43 g/mol
Exact Mass335.14
IUPAC Name2-[4-[[2-(dimethylamino)-1,3-thiazol-5-yl]methylamino]oxolan-3-yl]-6-methylpyridazin-3-one
SMILESCc1ccc(=O)n(C2COCC2NCc2cnc(N(C)C)s2)n1
InChIInChI=1S/C15H21N5O2S/c1-10-4-5-14(21)20(18-10)13-9-22-8-12(13)16-6-11-7-17-15(23-11)19(2)3/h4-5,7,12-13,16H,6,8-9H2,1-3H3
InChIKeyQUODJKKPTMKFKI-UHFFFAOYSA-N
XLogP0.80
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-(dimethylamino)-1,3-thiazol-5-yl]methylamino]oxolan-3-yl]-6-methylpyridazin-3-one?
The IUPAC name of 2-[4-[[2-(dimethylamino)-1,3-thiazol-5-yl]methylamino]oxolan-3-yl]-6-methylpyridazin-3-one (CID 126938880) is 2-[4-[[2-(dimethylamino)-1,3-thiazol-5-yl]methylamino]oxolan-3-yl]-6-methylpyridazin-3-one.
What is the SMILES notation for 2-[4-[[2-(dimethylamino)-1,3-thiazol-5-yl]methylamino]oxolan-3-yl]-6-methylpyridazin-3-one?
The canonical SMILES for 2-[4-[[2-(dimethylamino)-1,3-thiazol-5-yl]methylamino]oxolan-3-yl]-6-methylpyridazin-3-one is Cc1ccc(=O)n(C2COCC2NCc2cnc(N(C)C)s2)n1.
What is the InChIKey of 2-[4-[[2-(dimethylamino)-1,3-thiazol-5-yl]methylamino]oxolan-3-yl]-6-methylpyridazin-3-one?
The InChIKey is QUODJKKPTMKFKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2S/c1-10-4-5-14(21)20(18-10)13-9-22-8-12(13)16-6-11-7-17-15(23-11)19(2)3/h4-5,7,12-13,16H,6,8-9H2,1-3H3.
What are the key properties of 2-[4-[[2-(dimethylamino)-1,3-thiazol-5-yl]methylamino]oxolan-3-yl]-6-methylpyridazin-3-one?
2-[4-[[2-(dimethylamino)-1,3-thiazol-5-yl]methylamino]oxolan-3-yl]-6-methylpyridazin-3-one has a molecular weight of 335.43 g/mol, XLogP of 0.80, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-(dimethylamino)-1,3-thiazol-5-yl]methylamino]oxolan-3-yl]-6-methylpyridazin-3-one is sourced from PubChem (CID 126938880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).