N-[[1-[1-(2-hydroxycyclopentyl)-6-oxopyridazin-3-yl]piperidin-2-yl]methyl]-1,3-thiazole-4-carboxamide

C19H25N5O3S — CID 126931306

IUPACN-[[1-[1-(2-hydroxycyclopentyl)-6-oxopyridazin-3-yl]piperidin-2-yl]methyl]-1,3-thiazole-4-carboxamide
SMILESO=C(NCC1CCCCN1c1ccc(=O)n(C2CCCC2O)n1)c1cscn1
InChIInChI=1S/C19H25N5O3S/c25-16-6-3-5-15(16)24-18(26)8-7-17(22-24)23-9-2-1-4-13(23)10-20-19(27)14-11-28-12-21-14/h7-8,11-13,15-16,25H,1-6,9-10H2,(H,20,27)
InChIKeyLBGGPKNGOVLESS-UHFFFAOYSA-N
MW403.51 g/mol
LogP1.57
Rot. Bonds5

About N-[[1-[1-(2-hydroxycyclopentyl)-6-oxopyridazin-3-yl]piperidin-2-yl]methyl]-1,3-thiazole-4-carboxamide

N-[[1-[1-(2-hydroxycyclopentyl)-6-oxopyridazin-3-yl]piperidin-2-yl]methyl]-1,3-thiazole-4-carboxamide (PubChem CID 126931306) has the molecular formula C19H25N5O3S and a molecular weight of 403.51 g/mol. Its IUPAC name is N-[[1-[1-(2-hydroxycyclopentyl)-6-oxopyridazin-3-yl]piperidin-2-yl]methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[[1-[1-(2-hydroxycyclopentyl)-6-oxopyridazin-3-yl]piperidin-2-yl]methyl]-1,3-thiazole-4-carboxamide
PubChem CID126931306
Molecular FormulaC19H25N5O3S
Molecular Weight403.51 g/mol
Exact Mass403.17
IUPAC NameN-[[1-[1-(2-hydroxycyclopentyl)-6-oxopyridazin-3-yl]piperidin-2-yl]methyl]-1,3-thiazole-4-carboxamide
SMILESO=C(NCC1CCCCN1c1ccc(=O)n(C2CCCC2O)n1)c1cscn1
InChIInChI=1S/C19H25N5O3S/c25-16-6-3-5-15(16)24-18(26)8-7-17(22-24)23-9-2-1-4-13(23)10-20-19(27)14-11-28-12-21-14/h7-8,11-13,15-16,25H,1-6,9-10H2,(H,20,27)
InChIKeyLBGGPKNGOVLESS-UHFFFAOYSA-N
XLogP1.57
TPSA100.35 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.51
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[[1-[1-(2-hydroxycyclopentyl)-6-oxopyridazin-3-yl]piperidin-2-yl]methyl]-1,3-thiazole-4-carboxamide with MolForge

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Related Compounds

N-[[1-[1-(2-hydroxycyclopentyl)-6-oxopyridazin-3-yl]piperidin-2-yl]methyl]pyrazine-2-carboxamide
CID 126931269
N-[[1-[1-(2-hydroxycyclopentyl)-6-oxopyridazin-3-yl]piperidin-2-yl]methyl]pyrimidine-2-carboxamide
CID 126931295
N-[[1-[1-(2-hydroxycyclopentyl)-6-oxopyridazin-3-yl]piperidin-2-yl]methyl]cyclobutanecarboxamide
CID 126931271
N-[[1-[1-(2-hydroxycyclopentyl)-6-oxopyridazin-3-yl]piperidin-2-yl]methyl]-1H-pyrazole-4-carboxamide
CID 126931297
N-[[1-[1-(2-hydroxycyclohexyl)-6-oxopyridazin-3-yl]piperidin-2-yl]methyl]-1H-pyrazole-4-carboxamide
CID 126931513
5-cyclopropyl-N-[[1-[1-(2-hydroxycyclopentyl)-6-oxopyridazin-3-yl]piperidin-2-yl]methyl]-1H-pyrazole-3-carboxamide
CID 126931311
N-[[1-[1-(2-hydroxycyclopentyl)-6-oxopyridazin-3-yl]piperidin-2-yl]methyl]-2-oxo-1H-pyridine-4-carboxamide
CID 126931292
N-[[1-[1-(2-hydroxycyclopentyl)-6-oxopyridazin-3-yl]piperidin-2-yl]methyl]-2-methylpyrazole-3-carboxamide
CID 126931313
N-[[1-[1-(2-hydroxycyclohexyl)-6-oxopyridazin-3-yl]piperidin-2-yl]methyl]cyclopent-3-ene-1-carboxamide
CID 126931518
6-[2-[[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)amino]methyl]piperidin-1-yl]-2-(2-hydroxycyclohexyl)pyridazin-3-one
CID 126931566
2-(2-hydroxycyclopentyl)-6-[2-[[(1-methyl-6-oxopyrimidin-4-yl)amino]methyl]piperidin-1-yl]pyridazin-3-one
CID 126931459
2-(2-hydroxycyclopentyl)-6-[2-[[(2-methylpyrimidin-4-yl)amino]methyl]piperidin-1-yl]pyridazin-3-one
CID 126931356

Frequently Asked Questions

What is the IUPAC name of N-[[1-[1-(2-hydroxycyclopentyl)-6-oxopyridazin-3-yl]piperidin-2-yl]methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[[1-[1-(2-hydroxycyclopentyl)-6-oxopyridazin-3-yl]piperidin-2-yl]methyl]-1,3-thiazole-4-carboxamide (CID 126931306) is N-[[1-[1-(2-hydroxycyclopentyl)-6-oxopyridazin-3-yl]piperidin-2-yl]methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[[1-[1-(2-hydroxycyclopentyl)-6-oxopyridazin-3-yl]piperidin-2-yl]methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[[1-[1-(2-hydroxycyclopentyl)-6-oxopyridazin-3-yl]piperidin-2-yl]methyl]-1,3-thiazole-4-carboxamide is O=C(NCC1CCCCN1c1ccc(=O)n(C2CCCC2O)n1)c1cscn1.
What is the InChIKey of N-[[1-[1-(2-hydroxycyclopentyl)-6-oxopyridazin-3-yl]piperidin-2-yl]methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is LBGGPKNGOVLESS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O3S/c25-16-6-3-5-15(16)24-18(26)8-7-17(22-24)23-9-2-1-4-13(23)10-20-19(27)14-11-28-12-21-14/h7-8,11-13,15-16,25H,1-6,9-10H2,(H,20,27).
What are the key properties of N-[[1-[1-(2-hydroxycyclopentyl)-6-oxopyridazin-3-yl]piperidin-2-yl]methyl]-1,3-thiazole-4-carboxamide?
N-[[1-[1-(2-hydroxycyclopentyl)-6-oxopyridazin-3-yl]piperidin-2-yl]methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 403.51 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[1-(2-hydroxycyclopentyl)-6-oxopyridazin-3-yl]piperidin-2-yl]methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 126931306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).