2-methyl-5-[[(3R)-3-propoxypiperidin-1-yl]methyl]-1,3,4-thiadiazole

C12H21N3OS — CID 125163722

IUPAC2-methyl-5-[[(3R)-3-propoxypiperidin-1-yl]methyl]-1,3,4-thiadiazole
SMILESCCCO[C@@H]1CCCN(Cc2nnc(C)s2)C1
InChIInChI=1S/C12H21N3OS/c1-3-7-16-11-5-4-6-15(8-11)9-12-14-13-10(2)17-12/h11H,3-9H2,1-2H3/t11-/m1/s1
InChIKeyVLFXTWQWFGVXRP-LLVKDONJSA-N
MW255.39 g/mol
LogP2.24
Rot. Bonds5

About 2-methyl-5-[[(3R)-3-propoxypiperidin-1-yl]methyl]-1,3,4-thiadiazole

2-methyl-5-[[(3R)-3-propoxypiperidin-1-yl]methyl]-1,3,4-thiadiazole (PubChem CID 125163722) has the molecular formula C12H21N3OS and a molecular weight of 255.39 g/mol. Its IUPAC name is 2-methyl-5-[[(3R)-3-propoxypiperidin-1-yl]methyl]-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-methyl-5-[[(3R)-3-propoxypiperidin-1-yl]methyl]-1,3,4-thiadiazole
PubChem CID125163722
Molecular FormulaC12H21N3OS
Molecular Weight255.39 g/mol
Exact Mass255.14
IUPAC Name2-methyl-5-[[(3R)-3-propoxypiperidin-1-yl]methyl]-1,3,4-thiadiazole
SMILESCCCO[C@@H]1CCCN(Cc2nnc(C)s2)C1
InChIInChI=1S/C12H21N3OS/c1-3-7-16-11-5-4-6-15(8-11)9-12-14-13-10(2)17-12/h11H,3-9H2,1-2H3/t11-/m1/s1
InChIKeyVLFXTWQWFGVXRP-LLVKDONJSA-N
XLogP2.24
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-ethylazepan-1-yl)methyl]-5-methyl-1,3,4-thiadiazole
CID 131928480
1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-N-pentan-2-ylpiperidine-3-carboxamide
CID 127264806
4-[(3-propoxypiperidin-1-yl)methyl]-N-propylthiadiazol-5-amine
CID 62207774
2-[(3S)-3-propoxypiperidin-1-yl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
CID 124854593
3,6-dichloro-2-[(3-propoxypiperidin-1-yl)methyl]pyridine
CID 55127726
2-[(3R)-1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]piperidin-3-yl]-4,5,6,7-tetrahydro-1,3-benzothiazole
CID 124882253
2-methoxy-5-[(3-propoxypiperidin-1-yl)methyl]pyridine
CID 77092772
[4-[(3-propoxypiperidin-1-yl)methyl]-2-pyridinyl]methanamine
CID 63888050
(3S)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]-3-propoxypiperidine
CID 99962027
2-bromo-5-(3-propoxypiperidin-1-yl)-1,3,4-thiadiazole
CID 64624316
[5-[(3-propoxypiperidin-1-yl)methyl]furan-2-yl]methanol
CID 112548894
5-(hydroxymethyl)-2-methyl-4-[(3-propoxypiperidin-1-yl)methyl]pyridin-3-ol
CID 131922976

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[[(3R)-3-propoxypiperidin-1-yl]methyl]-1,3,4-thiadiazole?
The IUPAC name of 2-methyl-5-[[(3R)-3-propoxypiperidin-1-yl]methyl]-1,3,4-thiadiazole (CID 125163722) is 2-methyl-5-[[(3R)-3-propoxypiperidin-1-yl]methyl]-1,3,4-thiadiazole.
What is the SMILES notation for 2-methyl-5-[[(3R)-3-propoxypiperidin-1-yl]methyl]-1,3,4-thiadiazole?
The canonical SMILES for 2-methyl-5-[[(3R)-3-propoxypiperidin-1-yl]methyl]-1,3,4-thiadiazole is CCCO[C@@H]1CCCN(Cc2nnc(C)s2)C1.
What is the InChIKey of 2-methyl-5-[[(3R)-3-propoxypiperidin-1-yl]methyl]-1,3,4-thiadiazole?
The InChIKey is VLFXTWQWFGVXRP-LLVKDONJSA-N. The full InChI is InChI=1S/C12H21N3OS/c1-3-7-16-11-5-4-6-15(8-11)9-12-14-13-10(2)17-12/h11H,3-9H2,1-2H3/t11-/m1/s1.
What are the key properties of 2-methyl-5-[[(3R)-3-propoxypiperidin-1-yl]methyl]-1,3,4-thiadiazole?
2-methyl-5-[[(3R)-3-propoxypiperidin-1-yl]methyl]-1,3,4-thiadiazole has a molecular weight of 255.39 g/mol, XLogP of 2.24, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[[(3R)-3-propoxypiperidin-1-yl]methyl]-1,3,4-thiadiazole is sourced from PubChem (CID 125163722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).