2-[[1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]methoxy]pyridine-3-carbonitrile

C17H19N5OS — CID 126873681

IUPAC2-[[1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]methoxy]pyridine-3-carbonitrile
SMILESN#Cc1cccnc1OCC1CCN(c2nnc(C3CC3)s2)CC1
InChIInChI=1S/C17H19N5OS/c18-10-14-2-1-7-19-15(14)23-11-12-5-8-22(9-6-12)17-21-20-16(24-17)13-3-4-13/h1-2,7,12-13H,3-6,8-9,11H2
InChIKeyUNPBDCGIHAVTJF-UHFFFAOYSA-N
MW341.44 g/mol
LogP2.98
Rot. Bonds5

About 2-[[1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]methoxy]pyridine-3-carbonitrile

2-[[1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]methoxy]pyridine-3-carbonitrile (PubChem CID 126873681) has the molecular formula C17H19N5OS and a molecular weight of 341.44 g/mol. Its IUPAC name is 2-[[1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]methoxy]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[[1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]methoxy]pyridine-3-carbonitrile
PubChem CID126873681
Molecular FormulaC17H19N5OS
Molecular Weight341.44 g/mol
Exact Mass341.13
IUPAC Name2-[[1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]methoxy]pyridine-3-carbonitrile
SMILESN#Cc1cccnc1OCC1CCN(c2nnc(C3CC3)s2)CC1
InChIInChI=1S/C17H19N5OS/c18-10-14-2-1-7-19-15(14)23-11-12-5-8-22(9-6-12)17-21-20-16(24-17)13-3-4-13/h1-2,7,12-13H,3-6,8-9,11H2
InChIKeyUNPBDCGIHAVTJF-UHFFFAOYSA-N
XLogP2.98
TPSA74.93 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[[1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]methoxy]pyridine-3-carbonitrile with MolForge

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Related Compounds

N-butyl-N-[(2-fluorophenyl)methyl]-5-(2-methoxy-4-pyridinyl)-1,3,4-thiadiazol-2-amine
CID 53241276
2-Tert-butyl-5-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]-1,3,4-thiadiazole
CID 127733624
5-cyclopropyl-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-1,3,4-thiadiazol-2-amine
CID 133398760
2-Propan-2-yl-5-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]-1,3,4-thiadiazole
CID 133446133
2-Cyclopropyl-5-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]-1,3,4-thiadiazole
CID 133446157
2-Propyl-5-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]-1,3,4-thiadiazole
CID 133446304
6-[4-[[5-[(2-Fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]cyclohexyl]oxypyridine-3-carbonitrile
CID 133452097
N-[(2-ethoxy-4-pyridinyl)methyl]-5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-amine
CID 133456189
N-[(2-ethoxy-3-pyridinyl)methyl]-5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-amine
CID 133466475
2-{[1-(5-Methyl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]methoxy}-3-(trifluoromethyl)pyridine
CID 137947294
2-Tert-butyl-5-[4-[(3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]-1,3,4-thiadiazole
CID 139013167
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-[[1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]methoxy]pyridine-3-carbonitrile?
The IUPAC name of 2-[[1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]methoxy]pyridine-3-carbonitrile (CID 126873681) is 2-[[1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]methoxy]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[[1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]methoxy]pyridine-3-carbonitrile?
The canonical SMILES for 2-[[1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]methoxy]pyridine-3-carbonitrile is N#Cc1cccnc1OCC1CCN(c2nnc(C3CC3)s2)CC1.
What is the InChIKey of 2-[[1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]methoxy]pyridine-3-carbonitrile?
The InChIKey is UNPBDCGIHAVTJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5OS/c18-10-14-2-1-7-19-15(14)23-11-12-5-8-22(9-6-12)17-21-20-16(24-17)13-3-4-13/h1-2,7,12-13H,3-6,8-9,11H2.
What are the key properties of 2-[[1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]methoxy]pyridine-3-carbonitrile?
2-[[1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]methoxy]pyridine-3-carbonitrile has a molecular weight of 341.44 g/mol, XLogP of 2.98, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]methoxy]pyridine-3-carbonitrile is sourced from PubChem (CID 126873681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).