4-[[3-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]methyl]thiadiazole

C12H19N3O2S — CID 75504152

IUPAC4-[[3-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]methyl]thiadiazole
SMILESCC1(C2CCCN(Cc3csnn3)C2)OCCO1
InChIInChI=1S/C12H19N3O2S/c1-12(16-5-6-17-12)10-3-2-4-15(7-10)8-11-9-18-14-13-11/h9-10H,2-8H2,1H3
InChIKeyWKJZJLYUWALJLO-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.51
Rot. Bonds3

About 4-[[3-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]methyl]thiadiazole

4-[[3-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]methyl]thiadiazole (PubChem CID 75504152) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is 4-[[3-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]methyl]thiadiazole.

Molecular Properties

Compound Name4-[[3-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]methyl]thiadiazole
PubChem CID75504152
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC Name4-[[3-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]methyl]thiadiazole
SMILESCC1(C2CCCN(Cc3csnn3)C2)OCCO1
InChIInChI=1S/C12H19N3O2S/c1-12(16-5-6-17-12)10-3-2-4-15(7-10)8-11-9-18-14-13-11/h9-10H,2-8H2,1H3
InChIKeyWKJZJLYUWALJLO-UHFFFAOYSA-N
XLogP1.51
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-ethyl-5-[[3-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]methyl]-1,3,4-oxadiazole
CID 75520623
3-(2-methyl-1,3-dioxolan-2-yl)-1-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)methyl]piperidine
CID 75520621
6-methyl-2-[[3-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]methyl]pyridin-3-ol
CID 75504151
3-[[3-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]methyl]-1,2-benzothiazole
CID 122155618
2-[1-(thiadiazol-4-ylmethyl)piperidin-3-yl]ethanamine;hydrochloride
CID 120728721
N-methyl-1-(thiadiazol-4-ylmethyl)pyrrolidin-3-amine
CID 130167577
4-[(3-fluoro-3-methylpiperidin-1-yl)methyl]thiadiazole
CID 126790284
4-[[(3R)-3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methyl]thiadiazole
CID 99822145
1-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-3-(2-methyl-1,3-dioxolan-2-yl)piperidine
CID 86788978
N-propan-2-yl-1-(thiadiazol-4-ylmethyl)piperidin-4-amine
CID 115882622
1-(1-methylpyrrolidin-2-yl)-N-(thiadiazol-4-ylmethyl)methanamine
CID 115905144
4-[[(3aR,4S,7aR)-2-(thiadiazol-4-ylmethyl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-4-yl]methyl]morpholine
CID 124911160

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]methyl]thiadiazole?
The IUPAC name of 4-[[3-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]methyl]thiadiazole (CID 75504152) is 4-[[3-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]methyl]thiadiazole.
What is the SMILES notation for 4-[[3-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]methyl]thiadiazole?
The canonical SMILES for 4-[[3-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]methyl]thiadiazole is CC1(C2CCCN(Cc3csnn3)C2)OCCO1.
What is the InChIKey of 4-[[3-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]methyl]thiadiazole?
The InChIKey is WKJZJLYUWALJLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-12(16-5-6-17-12)10-3-2-4-15(7-10)8-11-9-18-14-13-11/h9-10H,2-8H2,1H3.
What are the key properties of 4-[[3-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]methyl]thiadiazole?
4-[[3-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]methyl]thiadiazole has a molecular weight of 269.37 g/mol, XLogP of 1.51, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]methyl]thiadiazole is sourced from PubChem (CID 75504152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).