(2,4-dimethyl-1,3-thiazol-5-yl)-(3-pyridazin-3-yloxypiperidin-1-yl)methanone

C15H18N4O2S — CID 91627672

IUPAC(2,4-dimethyl-1,3-thiazol-5-yl)-(3-pyridazin-3-yloxypiperidin-1-yl)methanone
SMILESCc1nc(C)c(C(=O)N2CCCC(Oc3cccnn3)C2)s1
InChIInChI=1S/C15H18N4O2S/c1-10-14(22-11(2)17-10)15(20)19-8-4-5-12(9-19)21-13-6-3-7-16-18-13/h3,6-7,12H,4-5,8-9H2,1-2H3
InChIKeyJNAULBGVEVXBOO-UHFFFAOYSA-N
MW318.40 g/mol
LogP2.23
Rot. Bonds3

About (2,4-dimethyl-1,3-thiazol-5-yl)-(3-pyridazin-3-yloxypiperidin-1-yl)methanone

(2,4-dimethyl-1,3-thiazol-5-yl)-(3-pyridazin-3-yloxypiperidin-1-yl)methanone (PubChem CID 91627672) has the molecular formula C15H18N4O2S and a molecular weight of 318.40 g/mol. Its IUPAC name is (2,4-dimethyl-1,3-thiazol-5-yl)-(3-pyridazin-3-yloxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2,4-dimethyl-1,3-thiazol-5-yl)-(3-pyridazin-3-yloxypiperidin-1-yl)methanone
PubChem CID91627672
Molecular FormulaC15H18N4O2S
Molecular Weight318.40 g/mol
Exact Mass318.12
IUPAC Name(2,4-dimethyl-1,3-thiazol-5-yl)-(3-pyridazin-3-yloxypiperidin-1-yl)methanone
SMILESCc1nc(C)c(C(=O)N2CCCC(Oc3cccnn3)C2)s1
InChIInChI=1S/C15H18N4O2S/c1-10-14(22-11(2)17-10)15(20)19-8-4-5-12(9-19)21-13-6-3-7-16-18-13/h3,6-7,12H,4-5,8-9H2,1-2H3
InChIKeyJNAULBGVEVXBOO-UHFFFAOYSA-N
XLogP2.23
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2,4-dimethyl-1,3-thiazol-5-yl)-[(3R)-3-pyridazin-3-yloxypyrrolidin-1-yl]methanone
CID 100621693
(4-methylphenyl)-[(3S)-3-pyridazin-3-yloxypiperidin-1-yl]methanone
CID 100638429
1,3-benzothiazol-2-yl-(3-pyridazin-3-yloxypiperidin-1-yl)methanone
CID 91627678
(2,5-dimethylfuran-3-yl)-(3-pyridazin-3-yloxypiperidin-1-yl)methanone
CID 91627673
(2,5-dimethylfuran-3-yl)-[(3R)-3-pyridazin-3-yloxypiperidin-1-yl]methanone
CID 100638902
furan-3-yl-[(3R)-3-pyridazin-3-yloxypiperidin-1-yl]methanone
CID 100639672
(2-methyl-1,3-thiazol-4-yl)-[(3R)-3-pyridazin-3-yloxypyrrolidin-1-yl]methanone
CID 100620419
(2,4-dimethyl-1,3-thiazol-5-yl)-[(3S)-3-pyrazin-2-yloxypyrrolidin-1-yl]methanone
CID 100753272
(2,4-dimethyl-1,3-thiazol-5-yl)-[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]methanone
CID 122268109
1-[4-[(3R)-3-pyridazin-3-yloxypiperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 100638372
[3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)methanone
CID 121017568
(2,4-dimethyl-1,3-thiazol-5-yl)-[(3S)-3-methylpiperidin-1-yl]methanone
CID 95274470

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethyl-1,3-thiazol-5-yl)-(3-pyridazin-3-yloxypiperidin-1-yl)methanone?
The IUPAC name of (2,4-dimethyl-1,3-thiazol-5-yl)-(3-pyridazin-3-yloxypiperidin-1-yl)methanone (CID 91627672) is (2,4-dimethyl-1,3-thiazol-5-yl)-(3-pyridazin-3-yloxypiperidin-1-yl)methanone.
What is the SMILES notation for (2,4-dimethyl-1,3-thiazol-5-yl)-(3-pyridazin-3-yloxypiperidin-1-yl)methanone?
The canonical SMILES for (2,4-dimethyl-1,3-thiazol-5-yl)-(3-pyridazin-3-yloxypiperidin-1-yl)methanone is Cc1nc(C)c(C(=O)N2CCCC(Oc3cccnn3)C2)s1.
What is the InChIKey of (2,4-dimethyl-1,3-thiazol-5-yl)-(3-pyridazin-3-yloxypiperidin-1-yl)methanone?
The InChIKey is JNAULBGVEVXBOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2S/c1-10-14(22-11(2)17-10)15(20)19-8-4-5-12(9-19)21-13-6-3-7-16-18-13/h3,6-7,12H,4-5,8-9H2,1-2H3.
What are the key properties of (2,4-dimethyl-1,3-thiazol-5-yl)-(3-pyridazin-3-yloxypiperidin-1-yl)methanone?
(2,4-dimethyl-1,3-thiazol-5-yl)-(3-pyridazin-3-yloxypiperidin-1-yl)methanone has a molecular weight of 318.40 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethyl-1,3-thiazol-5-yl)-(3-pyridazin-3-yloxypiperidin-1-yl)methanone is sourced from PubChem (CID 91627672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).