2-cyclopropyl-5-[4-[(3-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]-1,3,4-thiadiazole

C17H22N4OS — CID 126872877

IUPAC2-cyclopropyl-5-[4-[(3-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]-1,3,4-thiadiazole
SMILESCc1cccnc1OCC1CCN(c2nnc(C3CC3)s2)CC1
InChIInChI=1S/C17H22N4OS/c1-12-3-2-8-18-15(12)22-11-13-6-9-21(10-7-13)17-20-19-16(23-17)14-4-5-14/h2-3,8,13-14H,4-7,9-11H2,1H3
InChIKeyPWQFTTKVROWGLM-UHFFFAOYSA-N
MW330.46 g/mol
LogP3.41
Rot. Bonds5

About 2-cyclopropyl-5-[4-[(3-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]-1,3,4-thiadiazole

2-cyclopropyl-5-[4-[(3-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]-1,3,4-thiadiazole (PubChem CID 126872877) has the molecular formula C17H22N4OS and a molecular weight of 330.46 g/mol. Its IUPAC name is 2-cyclopropyl-5-[4-[(3-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-cyclopropyl-5-[4-[(3-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]-1,3,4-thiadiazole
PubChem CID126872877
Molecular FormulaC17H22N4OS
Molecular Weight330.46 g/mol
Exact Mass330.15
IUPAC Name2-cyclopropyl-5-[4-[(3-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]-1,3,4-thiadiazole
SMILESCc1cccnc1OCC1CCN(c2nnc(C3CC3)s2)CC1
InChIInChI=1S/C17H22N4OS/c1-12-3-2-8-18-15(12)22-11-13-6-9-21(10-7-13)17-20-19-16(23-17)14-4-5-14/h2-3,8,13-14H,4-7,9-11H2,1H3
InChIKeyPWQFTTKVROWGLM-UHFFFAOYSA-N
XLogP3.41
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.46
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-[4-[(3-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]-1,3,4-thiadiazole?
The IUPAC name of 2-cyclopropyl-5-[4-[(3-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]-1,3,4-thiadiazole (CID 126872877) is 2-cyclopropyl-5-[4-[(3-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]-1,3,4-thiadiazole.
What is the SMILES notation for 2-cyclopropyl-5-[4-[(3-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]-1,3,4-thiadiazole?
The canonical SMILES for 2-cyclopropyl-5-[4-[(3-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]-1,3,4-thiadiazole is Cc1cccnc1OCC1CCN(c2nnc(C3CC3)s2)CC1.
What is the InChIKey of 2-cyclopropyl-5-[4-[(3-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]-1,3,4-thiadiazole?
The InChIKey is PWQFTTKVROWGLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4OS/c1-12-3-2-8-18-15(12)22-11-13-6-9-21(10-7-13)17-20-19-16(23-17)14-4-5-14/h2-3,8,13-14H,4-7,9-11H2,1H3.
What are the key properties of 2-cyclopropyl-5-[4-[(3-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]-1,3,4-thiadiazole?
2-cyclopropyl-5-[4-[(3-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]-1,3,4-thiadiazole has a molecular weight of 330.46 g/mol, XLogP of 3.41, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-[4-[(3-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]-1,3,4-thiadiazole is sourced from PubChem (CID 126872877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).