3-[3-oxo-3-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]propyl]-4,5-dihydro-1H-pyridazin-6-one

C14H18N4O2S — CID 29181914

IUPAC3-[3-oxo-3-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]propyl]-4,5-dihydro-1H-pyridazin-6-one
SMILESO=C1CCC(CCC(=O)N2CCC[C@H]2c2nccs2)=NN1
InChIInChI=1S/C14H18N4O2S/c19-12-5-3-10(16-17-12)4-6-13(20)18-8-1-2-11(18)14-15-7-9-21-14/h7,9,11H,1-6,8H2,(H,17,19)/t11-/m0/s1
InChIKeyPJJKDZIENHBALP-NSHDSACASA-N
MW306.39 g/mol
LogP1.85
Rot. Bonds4

About 3-[3-oxo-3-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]propyl]-4,5-dihydro-1H-pyridazin-6-one

3-[3-oxo-3-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]propyl]-4,5-dihydro-1H-pyridazin-6-one (PubChem CID 29181914) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is 3-[3-oxo-3-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]propyl]-4,5-dihydro-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[3-oxo-3-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]propyl]-4,5-dihydro-1H-pyridazin-6-one
PubChem CID29181914
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC Name3-[3-oxo-3-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]propyl]-4,5-dihydro-1H-pyridazin-6-one
SMILESO=C1CCC(CCC(=O)N2CCC[C@H]2c2nccs2)=NN1
InChIInChI=1S/C14H18N4O2S/c19-12-5-3-10(16-17-12)4-6-13(20)18-8-1-2-11(18)14-15-7-9-21-14/h7,9,11H,1-6,8H2,(H,17,19)/t11-/m0/s1
InChIKeyPJJKDZIENHBALP-NSHDSACASA-N
XLogP1.85
TPSA74.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-{3-oxo-3-[2-(1,3-thiazol-2-yl)-1-pyrrolidinyl]propyl}-4,5-dihydro-3(2H)-pyridazinone
CID 45249577
3-[3-oxo-3-[(2R)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]propyl]-4,5-dihydro-1H-pyridazin-6-one
CID 29181912
6-oxo-N-(1,3-thiazol-2-ylmethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 60972025
6-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 62201981
6-oxo-N-[1-(1,3-thiazol-2-yl)ethyl]-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 63613416
6-oxo-N-[1-(1,3-thiazol-2-yl)propyl]-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 64485231
2-Ethyl-6-[2-(1,3-thiazol-2-yl)piperidine-1-carbonyl]-4,5-dihydropyridazin-3-one
CID 72134059
2-ethyl-6-[(2R)-2-(1,3-thiazol-2-yl)piperidine-1-carbonyl]-4,5-dihydropyridazin-3-one
CID 95770115
2-ethyl-6-[(2S)-2-(1,3-thiazol-2-yl)piperidine-1-carbonyl]-4,5-dihydropyridazin-3-one
CID 95770116
N-methyl-6-oxo-N-(1,3-thiazol-2-ylmethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 95969216
N-[cyclopropyl(1,3-thiazol-2-yl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 102554726
N-cyclopropyl-6-oxo-N-(1,3-thiazol-2-ylmethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 110742638

Frequently Asked Questions

What is the IUPAC name of 3-[3-oxo-3-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]propyl]-4,5-dihydro-1H-pyridazin-6-one?
The IUPAC name of 3-[3-oxo-3-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]propyl]-4,5-dihydro-1H-pyridazin-6-one (CID 29181914) is 3-[3-oxo-3-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]propyl]-4,5-dihydro-1H-pyridazin-6-one.
What is the SMILES notation for 3-[3-oxo-3-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]propyl]-4,5-dihydro-1H-pyridazin-6-one?
The canonical SMILES for 3-[3-oxo-3-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]propyl]-4,5-dihydro-1H-pyridazin-6-one is O=C1CCC(CCC(=O)N2CCC[C@H]2c2nccs2)=NN1.
What is the InChIKey of 3-[3-oxo-3-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]propyl]-4,5-dihydro-1H-pyridazin-6-one?
The InChIKey is PJJKDZIENHBALP-NSHDSACASA-N. The full InChI is InChI=1S/C14H18N4O2S/c19-12-5-3-10(16-17-12)4-6-13(20)18-8-1-2-11(18)14-15-7-9-21-14/h7,9,11H,1-6,8H2,(H,17,19)/t11-/m0/s1.
What are the key properties of 3-[3-oxo-3-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]propyl]-4,5-dihydro-1H-pyridazin-6-one?
3-[3-oxo-3-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]propyl]-4,5-dihydro-1H-pyridazin-6-one has a molecular weight of 306.39 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-oxo-3-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]propyl]-4,5-dihydro-1H-pyridazin-6-one is sourced from PubChem (CID 29181914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).