2-methyl-5-[5-methyl-8-(pyridin-2-yloxymethyl)-2,5-diazaspiro[3.5]nonan-2-yl]-1,3,4-thiadiazole

C17H23N5OS — CID 131654777

IUPAC2-methyl-5-[5-methyl-8-(pyridin-2-yloxymethyl)-2,5-diazaspiro[3.5]nonan-2-yl]-1,3,4-thiadiazole
SMILESCc1nnc(N2CC3(CC(COc4ccccn4)CCN3C)C2)s1
InChIInChI=1S/C17H23N5OS/c1-13-19-20-16(24-13)22-11-17(12-22)9-14(6-8-21(17)2)10-23-15-5-3-4-7-18-15/h3-5,7,14H,6,8-12H2,1-2H3
InChIKeyLVFAHWLQXLNXJB-UHFFFAOYSA-N
MW345.47 g/mol
LogP2.22
Rot. Bonds4

About 2-methyl-5-[5-methyl-8-(pyridin-2-yloxymethyl)-2,5-diazaspiro[3.5]nonan-2-yl]-1,3,4-thiadiazole

2-methyl-5-[5-methyl-8-(pyridin-2-yloxymethyl)-2,5-diazaspiro[3.5]nonan-2-yl]-1,3,4-thiadiazole (PubChem CID 131654777) has the molecular formula C17H23N5OS and a molecular weight of 345.47 g/mol. Its IUPAC name is 2-methyl-5-[5-methyl-8-(pyridin-2-yloxymethyl)-2,5-diazaspiro[3.5]nonan-2-yl]-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-methyl-5-[5-methyl-8-(pyridin-2-yloxymethyl)-2,5-diazaspiro[3.5]nonan-2-yl]-1,3,4-thiadiazole
PubChem CID131654777
Molecular FormulaC17H23N5OS
Molecular Weight345.47 g/mol
Exact Mass345.16
IUPAC Name2-methyl-5-[5-methyl-8-(pyridin-2-yloxymethyl)-2,5-diazaspiro[3.5]nonan-2-yl]-1,3,4-thiadiazole
SMILESCc1nnc(N2CC3(CC(COc4ccccn4)CCN3C)C2)s1
InChIInChI=1S/C17H23N5OS/c1-13-19-20-16(24-13)22-11-17(12-22)9-14(6-8-21(17)2)10-23-15-5-3-4-7-18-15/h3-5,7,14H,6,8-12H2,1-2H3
InChIKeyLVFAHWLQXLNXJB-UHFFFAOYSA-N
XLogP2.22
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(8R)-5-methyl-2-(oxan-4-yl)-8-(pyridin-2-yloxymethyl)-2,5-diazaspiro[3.5]nonane
CID 124817621
(8S)-5-methyl-2-(pyridin-4-ylmethyl)-8-(pyridin-2-yloxymethyl)-2,5-diazaspiro[3.5]nonane
CID 124818166
5-methyl-2-(pyridin-3-ylmethyl)-8-(pyridin-2-yloxymethyl)-2,5-diazaspiro[3.5]nonane
CID 131662338
(6-methyl-2-pyridinyl)-[(8R)-5-methyl-8-(pyridin-2-yloxymethyl)-2,5-diazaspiro[3.5]nonan-2-yl]methanone
CID 124817651
(6-methyl-3-pyridinyl)-[(8R)-5-methyl-8-(pyridin-2-yloxymethyl)-2,5-diazaspiro[3.5]nonan-2-yl]methanone
CID 124817783
(6-methyl-3-pyridinyl)-[5-methyl-8-(pyridin-2-yloxymethyl)-2,5-diazaspiro[3.5]nonan-2-yl]methanone
CID 131650235
[(8R)-5-methyl-8-(pyridin-2-yloxymethyl)-2,5-diazaspiro[3.5]nonan-2-yl]-(1-methylpyrrol-2-yl)methanone
CID 124816295
(5-methyl-1,2-oxazol-3-yl)-[(8S)-5-methyl-8-(pyridin-2-yloxymethyl)-2,5-diazaspiro[3.5]nonan-2-yl]methanone
CID 124814269
2-cyclopentyl-5-methyl-8-(pyridin-2-yloxymethyl)-2,5-diazaspiro[3.5]nonane;tris(2,2,2-trifluoroacetic acid)
CID 155869286
2,2,2-trifluoroacetic acid;N,N,5-trimethyl-8-(pyridin-2-yloxymethyl)-2,5-diazaspiro[3.5]nonane-2-carboxamide
CID 171692982
2-[(2,5-dimethylpyrazol-3-yl)methyl]-5-methyl-8-(pyridin-2-yloxymethyl)-2,5-diazaspiro[3.5]nonane;tris(2,2,2-trifluoroacetic acid)
CID 155851901
5-methyl-2-(pyridin-3-ylmethyl)-8-(pyridin-2-yloxymethyl)-2,5-diazaspiro[3.5]nonane;tetrakis(2,2,2-trifluoroacetic acid)
CID 155842696

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[5-methyl-8-(pyridin-2-yloxymethyl)-2,5-diazaspiro[3.5]nonan-2-yl]-1,3,4-thiadiazole?
The IUPAC name of 2-methyl-5-[5-methyl-8-(pyridin-2-yloxymethyl)-2,5-diazaspiro[3.5]nonan-2-yl]-1,3,4-thiadiazole (CID 131654777) is 2-methyl-5-[5-methyl-8-(pyridin-2-yloxymethyl)-2,5-diazaspiro[3.5]nonan-2-yl]-1,3,4-thiadiazole.
What is the SMILES notation for 2-methyl-5-[5-methyl-8-(pyridin-2-yloxymethyl)-2,5-diazaspiro[3.5]nonan-2-yl]-1,3,4-thiadiazole?
The canonical SMILES for 2-methyl-5-[5-methyl-8-(pyridin-2-yloxymethyl)-2,5-diazaspiro[3.5]nonan-2-yl]-1,3,4-thiadiazole is Cc1nnc(N2CC3(CC(COc4ccccn4)CCN3C)C2)s1.
What is the InChIKey of 2-methyl-5-[5-methyl-8-(pyridin-2-yloxymethyl)-2,5-diazaspiro[3.5]nonan-2-yl]-1,3,4-thiadiazole?
The InChIKey is LVFAHWLQXLNXJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5OS/c1-13-19-20-16(24-13)22-11-17(12-22)9-14(6-8-21(17)2)10-23-15-5-3-4-7-18-15/h3-5,7,14H,6,8-12H2,1-2H3.
What are the key properties of 2-methyl-5-[5-methyl-8-(pyridin-2-yloxymethyl)-2,5-diazaspiro[3.5]nonan-2-yl]-1,3,4-thiadiazole?
2-methyl-5-[5-methyl-8-(pyridin-2-yloxymethyl)-2,5-diazaspiro[3.5]nonan-2-yl]-1,3,4-thiadiazole has a molecular weight of 345.47 g/mol, XLogP of 2.22, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[5-methyl-8-(pyridin-2-yloxymethyl)-2,5-diazaspiro[3.5]nonan-2-yl]-1,3,4-thiadiazole is sourced from PubChem (CID 131654777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).