N-[[1-(6-oxo-1H-pyridazin-3-yl)piperidin-2-yl]methyl]-1,3-benzothiazole-2-carboxamide

C18H19N5O2S — CID 126930312

IUPACN-[[1-(6-oxo-1H-pyridazin-3-yl)piperidin-2-yl]methyl]-1,3-benzothiazole-2-carboxamide
SMILESO=C(NCC1CCCCN1c1ccc(=O)[nH]n1)c1nc2ccccc2s1
InChIInChI=1S/C18H19N5O2S/c24-16-9-8-15(21-22-16)23-10-4-3-5-12(23)11-19-17(25)18-20-13-6-1-2-7-14(13)26-18/h1-2,6-9,12H,3-5,10-11H2,(H,19,25)(H,22,24)
InChIKeyDTOFHCUJFVTXHM-UHFFFAOYSA-N
MW369.45 g/mol
LogP2.17
Rot. Bonds4

About N-[[1-(6-oxo-1H-pyridazin-3-yl)piperidin-2-yl]methyl]-1,3-benzothiazole-2-carboxamide

N-[[1-(6-oxo-1H-pyridazin-3-yl)piperidin-2-yl]methyl]-1,3-benzothiazole-2-carboxamide (PubChem CID 126930312) has the molecular formula C18H19N5O2S and a molecular weight of 369.45 g/mol. Its IUPAC name is N-[[1-(6-oxo-1H-pyridazin-3-yl)piperidin-2-yl]methyl]-1,3-benzothiazole-2-carboxamide.

Molecular Properties

Compound NameN-[[1-(6-oxo-1H-pyridazin-3-yl)piperidin-2-yl]methyl]-1,3-benzothiazole-2-carboxamide
PubChem CID126930312
Molecular FormulaC18H19N5O2S
Molecular Weight369.45 g/mol
Exact Mass369.13
IUPAC NameN-[[1-(6-oxo-1H-pyridazin-3-yl)piperidin-2-yl]methyl]-1,3-benzothiazole-2-carboxamide
SMILESO=C(NCC1CCCCN1c1ccc(=O)[nH]n1)c1nc2ccccc2s1
InChIInChI=1S/C18H19N5O2S/c24-16-9-8-15(21-22-16)23-10-4-3-5-12(23)11-19-17(25)18-20-13-6-1-2-7-14(13)26-18/h1-2,6-9,12H,3-5,10-11H2,(H,19,25)(H,22,24)
InChIKeyDTOFHCUJFVTXHM-UHFFFAOYSA-N
XLogP2.17
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1-phenylpyrrolidin-2-yl)methyl]-1,3-benzothiazole-2-carboxamide
CID 73168222
N-[[1-(6-oxo-1H-pyridazin-3-yl)piperidin-2-yl]methyl]indolizine-2-carboxamide
CID 126930345
7-methoxy-N-[[1-(6-oxo-1H-pyridazin-3-yl)piperidin-2-yl]methyl]-1-benzofuran-2-carboxamide
CID 126930301
N-[(5-methylpyrazolidin-3-yl)methyl]-1,3-benzothiazole-2-carboxamide
CID 74552021
3-[2-[[(1-hydroxycyclopentyl)methylamino]methyl]piperidin-1-yl]-1H-pyridazin-6-one
CID 126930538
3-[2-[([1,2,4]triazolo[4,3-a]pyridin-3-ylamino)methyl]piperidin-1-yl]-1H-pyridazin-6-one
CID 126930534
3,5-dimethyl-N-[[1-(6-oxo-1H-pyridazin-3-yl)piperidin-2-yl]methyl]-1H-pyrazole-4-sulfonamide
CID 126930391
N-[[1-(dimethylsulfamoyl)piperidin-4-yl]methyl]-1,3-benzothiazole-2-carboxamide
CID 122161792
N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]-1,3-benzothiazole-2-carboxamide
CID 71786717
N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-1,3-benzothiazole-2-carboxamide
CID 45173814
3-methyl-2-[[1-(6-oxo-1H-pyridazin-3-yl)piperidin-2-yl]methylamino]pyrido[2,3-d]pyrimidin-4-one
CID 126930570
3-[2-[[(6-cyclopropylpyrimidin-4-yl)amino]methyl]piperidin-1-yl]-1H-pyridazin-6-one
CID 126930428

Frequently Asked Questions

What is the IUPAC name of N-[[1-(6-oxo-1H-pyridazin-3-yl)piperidin-2-yl]methyl]-1,3-benzothiazole-2-carboxamide?
The IUPAC name of N-[[1-(6-oxo-1H-pyridazin-3-yl)piperidin-2-yl]methyl]-1,3-benzothiazole-2-carboxamide (CID 126930312) is N-[[1-(6-oxo-1H-pyridazin-3-yl)piperidin-2-yl]methyl]-1,3-benzothiazole-2-carboxamide.
What is the SMILES notation for N-[[1-(6-oxo-1H-pyridazin-3-yl)piperidin-2-yl]methyl]-1,3-benzothiazole-2-carboxamide?
The canonical SMILES for N-[[1-(6-oxo-1H-pyridazin-3-yl)piperidin-2-yl]methyl]-1,3-benzothiazole-2-carboxamide is O=C(NCC1CCCCN1c1ccc(=O)[nH]n1)c1nc2ccccc2s1.
What is the InChIKey of N-[[1-(6-oxo-1H-pyridazin-3-yl)piperidin-2-yl]methyl]-1,3-benzothiazole-2-carboxamide?
The InChIKey is DTOFHCUJFVTXHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2S/c24-16-9-8-15(21-22-16)23-10-4-3-5-12(23)11-19-17(25)18-20-13-6-1-2-7-14(13)26-18/h1-2,6-9,12H,3-5,10-11H2,(H,19,25)(H,22,24).
What are the key properties of N-[[1-(6-oxo-1H-pyridazin-3-yl)piperidin-2-yl]methyl]-1,3-benzothiazole-2-carboxamide?
N-[[1-(6-oxo-1H-pyridazin-3-yl)piperidin-2-yl]methyl]-1,3-benzothiazole-2-carboxamide has a molecular weight of 369.45 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(6-oxo-1H-pyridazin-3-yl)piperidin-2-yl]methyl]-1,3-benzothiazole-2-carboxamide is sourced from PubChem (CID 126930312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).