N-[5-[[2-(4,6-dimethylpyridazin-3-yl)-2,7-diazaspiro[4.4]nonan-7-yl]methyl]-1,3-thiazol-2-yl]acetamide

C19H26N6OS — CID 135301769

IUPACN-[5-[[2-(4,6-dimethylpyridazin-3-yl)-2,7-diazaspiro[4.4]nonan-7-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(CN2CCC3(CCN(c4nnc(C)cc4C)C3)C2)s1
InChIInChI=1S/C19H26N6OS/c1-13-8-14(2)22-23-17(13)25-7-5-19(12-25)4-6-24(11-19)10-16-9-20-18(27-16)21-15(3)26/h8-9H,4-7,10-12H2,1-3H3,(H,20,21,26)
InChIKeyLKJXIJCWWWRQAO-UHFFFAOYSA-N
MW386.53 g/mol
LogP2.61
Rot. Bonds4

About N-[5-[[2-(4,6-dimethylpyridazin-3-yl)-2,7-diazaspiro[4.4]nonan-7-yl]methyl]-1,3-thiazol-2-yl]acetamide

N-[5-[[2-(4,6-dimethylpyridazin-3-yl)-2,7-diazaspiro[4.4]nonan-7-yl]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 135301769) has the molecular formula C19H26N6OS and a molecular weight of 386.53 g/mol. Its IUPAC name is N-[5-[[2-(4,6-dimethylpyridazin-3-yl)-2,7-diazaspiro[4.4]nonan-7-yl]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[[2-(4,6-dimethylpyridazin-3-yl)-2,7-diazaspiro[4.4]nonan-7-yl]methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID135301769
Molecular FormulaC19H26N6OS
Molecular Weight386.53 g/mol
Exact Mass386.19
IUPAC NameN-[5-[[2-(4,6-dimethylpyridazin-3-yl)-2,7-diazaspiro[4.4]nonan-7-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(CN2CCC3(CCN(c4nnc(C)cc4C)C3)C2)s1
InChIInChI=1S/C19H26N6OS/c1-13-8-14(2)22-23-17(13)25-7-5-19(12-25)4-6-24(11-19)10-16-9-20-18(27-16)21-15(3)26/h8-9H,4-7,10-12H2,1-3H3,(H,20,21,26)
InChIKeyLKJXIJCWWWRQAO-UHFFFAOYSA-N
XLogP2.61
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.53
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[5-(piperazin-1-ylmethyl)-1,3-thiazol-2-yl]acetamide;dihydrochloride
CID 71308050
N-[5-[[(3S)-3-fluoro-3-[(5-fluoropyrimidin-2-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 139491169
N-[5-[[3-[(2,6-dimethyl-3-pyridinyl)methyl]-2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 156576432
N-[5-[[3-[(5-methylpyridazin-3-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 135135529
N-[5-[[(3R)-4-methyl-3-[(2-methyl-4-pyridinyl)methyl]piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 146628936
N-[5-[[3-[(2,6-dimethyl-4-pyridinyl)methoxy]azetidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 155103918
N-[5-[[3-[(2,6-dimethyl-4-pyridinyl)methoxy]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 135135119
N-[5-[[(6R)-6-[(2,6-dimethyl-4-pyridinyl)methyl]-1,4-oxazepan-4-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 146629115
N-[2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-4-propan-2-ylphenyl]acetamide
CID 170668063
N-[5-[[(3R)-3-[(2,6-dimethylpyrimidin-4-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 135135074
N-[5-[[(3S)-3-[(2,6-dimethyl-4-pyridinyl)oxy]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;sulfane
CID 160933841
N-[5-[[3-[(2,6-dimethylpyrimidin-4-yl)oxymethyl]azetidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 155103772

Frequently Asked Questions

What is the IUPAC name of N-[5-[[2-(4,6-dimethylpyridazin-3-yl)-2,7-diazaspiro[4.4]nonan-7-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-[[2-(4,6-dimethylpyridazin-3-yl)-2,7-diazaspiro[4.4]nonan-7-yl]methyl]-1,3-thiazol-2-yl]acetamide (CID 135301769) is N-[5-[[2-(4,6-dimethylpyridazin-3-yl)-2,7-diazaspiro[4.4]nonan-7-yl]methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[[2-(4,6-dimethylpyridazin-3-yl)-2,7-diazaspiro[4.4]nonan-7-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[[2-(4,6-dimethylpyridazin-3-yl)-2,7-diazaspiro[4.4]nonan-7-yl]methyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1ncc(CN2CCC3(CCN(c4nnc(C)cc4C)C3)C2)s1.
What is the InChIKey of N-[5-[[2-(4,6-dimethylpyridazin-3-yl)-2,7-diazaspiro[4.4]nonan-7-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is LKJXIJCWWWRQAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6OS/c1-13-8-14(2)22-23-17(13)25-7-5-19(12-25)4-6-24(11-19)10-16-9-20-18(27-16)21-15(3)26/h8-9H,4-7,10-12H2,1-3H3,(H,20,21,26).
What are the key properties of N-[5-[[2-(4,6-dimethylpyridazin-3-yl)-2,7-diazaspiro[4.4]nonan-7-yl]methyl]-1,3-thiazol-2-yl]acetamide?
N-[5-[[2-(4,6-dimethylpyridazin-3-yl)-2,7-diazaspiro[4.4]nonan-7-yl]methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 386.53 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[2-(4,6-dimethylpyridazin-3-yl)-2,7-diazaspiro[4.4]nonan-7-yl]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 135301769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).