2-cyclopropyl-5-[4-[(6-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]-1,3,4-thiadiazole

C17H22N4OS — CID 126875971

IUPAC2-cyclopropyl-5-[4-[(6-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]-1,3,4-thiadiazole
SMILESCc1cccc(OCC2CCN(c3nnc(C4CC4)s3)CC2)n1
InChIInChI=1S/C17H22N4OS/c1-12-3-2-4-15(18-12)22-11-13-7-9-21(10-8-13)17-20-19-16(23-17)14-5-6-14/h2-4,13-14H,5-11H2,1H3
InChIKeyPIYDSUHVCJSITR-UHFFFAOYSA-N
MW330.46 g/mol
LogP3.41
Rot. Bonds5

About 2-cyclopropyl-5-[4-[(6-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]-1,3,4-thiadiazole

2-cyclopropyl-5-[4-[(6-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]-1,3,4-thiadiazole (PubChem CID 126875971) has the molecular formula C17H22N4OS and a molecular weight of 330.46 g/mol. Its IUPAC name is 2-cyclopropyl-5-[4-[(6-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-cyclopropyl-5-[4-[(6-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]-1,3,4-thiadiazole
PubChem CID126875971
Molecular FormulaC17H22N4OS
Molecular Weight330.46 g/mol
Exact Mass330.15
IUPAC Name2-cyclopropyl-5-[4-[(6-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]-1,3,4-thiadiazole
SMILESCc1cccc(OCC2CCN(c3nnc(C4CC4)s3)CC2)n1
InChIInChI=1S/C17H22N4OS/c1-12-3-2-4-15(18-12)22-11-13-7-9-21(10-8-13)17-20-19-16(23-17)14-5-6-14/h2-4,13-14H,5-11H2,1H3
InChIKeyPIYDSUHVCJSITR-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

Analyze 2-cyclopropyl-5-[4-[(6-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]-1,3,4-thiadiazole with MolForge

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Related Compounds

2-(6-Methoxy-2-pyridinyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole
CID 50905026
5-(cyclopentylmethyl)-N-[(6-methoxy-2-pyridinyl)methyl]-1,3,4-thiadiazol-2-amine
CID 86819456
3-Cyclopropyl-6-{[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]methoxy}pyridazine
CID 137965260
3-Tert-butyl-6-{[1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]methoxy}pyridazine
CID 137966431
(3S,4S,5S)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-3,4-diol
CID 171558396
2-[4-[(6-Methyl-2-pyridinyl)oxy]piperidin-1-yl]-5-(trifluoromethyl)-1,3,4-thiadiazole
CID 86803706
2-{[1-(5-Methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]methoxy}-6-(trifluoromethyl)pyridine
CID 126874808
2-{[1-(1,3,4-Thiadiazol-2-yl)piperidin-4-yl]methoxy}-6-(trifluoromethyl)pyridine
CID 126874992
2-Tert-butyl-5-[4-[(3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]-1,3,4-thiadiazole
CID 139013167
2-({1-[(4,5-dimethyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-4-yl}methoxy)-6-(trifluoromethyl)pyridine
CID 156007898
4-{[1-(5-Methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]methoxy}-2-(trifluoromethyl)pyridine
CID 168054352
4-{[1-(5-Cyclopropyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]methoxy}-2-(trifluoromethyl)pyridine
CID 168054367

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-[4-[(6-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]-1,3,4-thiadiazole?
The IUPAC name of 2-cyclopropyl-5-[4-[(6-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]-1,3,4-thiadiazole (CID 126875971) is 2-cyclopropyl-5-[4-[(6-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]-1,3,4-thiadiazole.
What is the SMILES notation for 2-cyclopropyl-5-[4-[(6-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]-1,3,4-thiadiazole?
The canonical SMILES for 2-cyclopropyl-5-[4-[(6-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]-1,3,4-thiadiazole is Cc1cccc(OCC2CCN(c3nnc(C4CC4)s3)CC2)n1.
What is the InChIKey of 2-cyclopropyl-5-[4-[(6-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]-1,3,4-thiadiazole?
The InChIKey is PIYDSUHVCJSITR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4OS/c1-12-3-2-4-15(18-12)22-11-13-7-9-21(10-8-13)17-20-19-16(23-17)14-5-6-14/h2-4,13-14H,5-11H2,1H3.
What are the key properties of 2-cyclopropyl-5-[4-[(6-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]-1,3,4-thiadiazole?
2-cyclopropyl-5-[4-[(6-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-[(6-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]-1,3,4-thiadiazole is sourced from PubChem (CID 126875971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).