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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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).