[6-(dimethylamino)pyridazin-3-yl]-[(3S)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone

C17H23N5OS — CID 95768063

IUPAC[6-(dimethylamino)pyridazin-3-yl]-[(3S)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
SMILESCCc1csc([C@H]2CCCN(C(=O)c3ccc(N(C)C)nn3)C2)n1
InChIInChI=1S/C17H23N5OS/c1-4-13-11-24-16(18-13)12-6-5-9-22(10-12)17(23)14-7-8-15(20-19-14)21(2)3/h7-8,11-12H,4-6,9-10H2,1-3H3/t12-/m0/s1
InChIKeyXOMFPEJZVFWHKE-LBPRGKRZSA-N
MW345.47 g/mol
LogP2.58
Rot. Bonds4

About [6-(dimethylamino)pyridazin-3-yl]-[(3S)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone

[6-(dimethylamino)pyridazin-3-yl]-[(3S)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone (PubChem CID 95768063) has the molecular formula C17H23N5OS and a molecular weight of 345.47 g/mol. Its IUPAC name is [6-(dimethylamino)pyridazin-3-yl]-[(3S)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[6-(dimethylamino)pyridazin-3-yl]-[(3S)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
PubChem CID95768063
Molecular FormulaC17H23N5OS
Molecular Weight345.47 g/mol
Exact Mass345.16
IUPAC Name[6-(dimethylamino)pyridazin-3-yl]-[(3S)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
SMILESCCc1csc([C@H]2CCCN(C(=O)c3ccc(N(C)C)nn3)C2)n1
InChIInChI=1S/C17H23N5OS/c1-4-13-11-24-16(18-13)12-6-5-9-22(10-12)17(23)14-7-8-15(20-19-14)21(2)3/h7-8,11-12H,4-6,9-10H2,1-3H3/t12-/m0/s1
InChIKeyXOMFPEJZVFWHKE-LBPRGKRZSA-N
XLogP2.58
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [6-(dimethylamino)pyridazin-3-yl]-[(3S)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone with MolForge

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Related Compounds

[(3S)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-(6-methoxypyridazin-3-yl)methanone
CID 95773881
[6-(dimethylamino)pyridazin-3-yl]-[(3S)-3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 95777882
1-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 53016829
cyclopropyl-[(3R)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 95051901
(2-aminophenyl)-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 119946973
(1-aminocyclopentyl)-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 75513789
1,3-benzodioxol-5-yl-[(3S)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 95767935
5-[(3S)-3-(4-ethyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]-1-methylpyridin-2-one
CID 95767983
(5-amino-2-methylphenyl)-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 120645991
(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 86946887
[(3R)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone
CID 95767978
[(3R)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
CID 95768006

Frequently Asked Questions

What is the IUPAC name of [6-(dimethylamino)pyridazin-3-yl]-[(3S)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone?
The IUPAC name of [6-(dimethylamino)pyridazin-3-yl]-[(3S)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone (CID 95768063) is [6-(dimethylamino)pyridazin-3-yl]-[(3S)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [6-(dimethylamino)pyridazin-3-yl]-[(3S)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for [6-(dimethylamino)pyridazin-3-yl]-[(3S)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone is CCc1csc([C@H]2CCCN(C(=O)c3ccc(N(C)C)nn3)C2)n1.
What is the InChIKey of [6-(dimethylamino)pyridazin-3-yl]-[(3S)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone?
The InChIKey is XOMFPEJZVFWHKE-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H23N5OS/c1-4-13-11-24-16(18-13)12-6-5-9-22(10-12)17(23)14-7-8-15(20-19-14)21(2)3/h7-8,11-12H,4-6,9-10H2,1-3H3/t12-/m0/s1.
What are the key properties of [6-(dimethylamino)pyridazin-3-yl]-[(3S)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone?
[6-(dimethylamino)pyridazin-3-yl]-[(3S)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone has a molecular weight of 345.47 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(dimethylamino)pyridazin-3-yl]-[(3S)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 95768063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).