(3S)-1-(1-methyl-6-oxopyridazin-3-yl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide

C14H17N5O2S — CID 95985916

IUPAC(3S)-1-(1-methyl-6-oxopyridazin-3-yl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
SMILESCn1nc(N2CCC[C@H](C(=O)Nc3nccs3)C2)ccc1=O
InChIInChI=1S/C14H17N5O2S/c1-18-12(20)5-4-11(17-18)19-7-2-3-10(9-19)13(21)16-14-15-6-8-22-14/h4-6,8,10H,2-3,7,9H2,1H3,(H,15,16,21)/t10-/m0/s1
InChIKeyQDSOHVNXTPSTNK-JTQLQIEISA-N
MW319.39 g/mol
LogP1.09
Rot. Bonds3

About (3S)-1-(1-methyl-6-oxopyridazin-3-yl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide

(3S)-1-(1-methyl-6-oxopyridazin-3-yl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide (PubChem CID 95985916) has the molecular formula C14H17N5O2S and a molecular weight of 319.39 g/mol. Its IUPAC name is (3S)-1-(1-methyl-6-oxopyridazin-3-yl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(1-methyl-6-oxopyridazin-3-yl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
PubChem CID95985916
Molecular FormulaC14H17N5O2S
Molecular Weight319.39 g/mol
Exact Mass319.11
IUPAC Name(3S)-1-(1-methyl-6-oxopyridazin-3-yl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
SMILESCn1nc(N2CCC[C@H](C(=O)Nc3nccs3)C2)ccc1=O
InChIInChI=1S/C14H17N5O2S/c1-18-12(20)5-4-11(17-18)19-7-2-3-10(9-19)13(21)16-14-15-6-8-22-14/h4-6,8,10H,2-3,7,9H2,1H3,(H,15,16,21)/t10-/m0/s1
InChIKeyQDSOHVNXTPSTNK-JTQLQIEISA-N
XLogP1.09
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(3R)-1-(1-methyl-6-oxopyridazin-3-yl)piperidine-3-carboxylic acid
CID 92669109
ethyl 2-[[1-(1-methyl-6-oxopyridazin-3-yl)piperidine-3-carbonyl]amino]-1,3-thiazole-4-carboxylate
CID 71795261
N-(1,3-thiazol-2-yl)-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide
CID 90601007
(3R)-1-(1-methyl-6-oxopyridazin-3-yl)-N-(4-methylsulfonylphenyl)piperidine-3-carboxamide
CID 97104627
N-(3-chloro-2-methylphenyl)-1-(1-methyl-6-oxopyridazin-3-yl)piperidine-3-carboxamide
CID 71795253
(3R)-1-(4,6-dimethylpyrimidin-2-yl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 96557903
N-[2-(1-methyl-6-oxopyridazin-3-yl)phenyl]-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 71805072
1-(1-methyl-6-oxopyridazin-3-yl)-N-(2-phenylethyl)piperidine-3-carboxamide
CID 71795251
1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 86808303
(3R)-1-(6-piperidin-1-ylsulfonylquinolin-2-yl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 92888330
1-(1,3-benzothiazol-2-yl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 90610044
1-(6-methylpyridazin-3-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]piperidine-3-carboxamide
CID 121118462

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(1-methyl-6-oxopyridazin-3-yl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide?
The IUPAC name of (3S)-1-(1-methyl-6-oxopyridazin-3-yl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide (CID 95985916) is (3S)-1-(1-methyl-6-oxopyridazin-3-yl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(1-methyl-6-oxopyridazin-3-yl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-(1-methyl-6-oxopyridazin-3-yl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide is Cn1nc(N2CCC[C@H](C(=O)Nc3nccs3)C2)ccc1=O.
What is the InChIKey of (3S)-1-(1-methyl-6-oxopyridazin-3-yl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide?
The InChIKey is QDSOHVNXTPSTNK-JTQLQIEISA-N. The full InChI is InChI=1S/C14H17N5O2S/c1-18-12(20)5-4-11(17-18)19-7-2-3-10(9-19)13(21)16-14-15-6-8-22-14/h4-6,8,10H,2-3,7,9H2,1H3,(H,15,16,21)/t10-/m0/s1.
What are the key properties of (3S)-1-(1-methyl-6-oxopyridazin-3-yl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide?
(3S)-1-(1-methyl-6-oxopyridazin-3-yl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide has a molecular weight of 319.39 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(1-methyl-6-oxopyridazin-3-yl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 95985916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).