4-[1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]oxybenzonitrile

C17H18N4OS — CID 71968120

IUPAC4-[1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]oxybenzonitrile
SMILESN#Cc1ccc(OC2CCN(c3nnc(C4CC4)s3)CC2)cc1
InChIInChI=1S/C17H18N4OS/c18-11-12-1-5-14(6-2-12)22-15-7-9-21(10-8-15)17-20-19-16(23-17)13-3-4-13/h1-2,5-6,13,15H,3-4,7-10H2
InChIKeyVKSDJCHLDGCYEP-UHFFFAOYSA-N
MW326.42 g/mol
LogP3.33
Rot. Bonds4

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

4-[1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]oxybenzonitrile (PubChem CID 71968120) has the molecular formula C17H18N4OS and a molecular weight of 326.42 g/mol. Its IUPAC name is 4-[1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]oxybenzonitrile.

Molecular Properties

Compound Name4-[1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]oxybenzonitrile
PubChem CID71968120
Molecular FormulaC17H18N4OS
Molecular Weight326.42 g/mol
Exact Mass326.12
IUPAC Name4-[1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]oxybenzonitrile
SMILESN#Cc1ccc(OC2CCN(c3nnc(C4CC4)s3)CC2)cc1
InChIInChI=1S/C17H18N4OS/c18-11-12-1-5-14(6-2-12)22-15-7-9-21(10-8-15)17-20-19-16(23-17)13-3-4-13/h1-2,5-6,13,15H,3-4,7-10H2
InChIKeyVKSDJCHLDGCYEP-UHFFFAOYSA-N
XLogP3.33
TPSA62.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-(3-chlorophenoxy)pyrrolidin-1-yl]-5-cyclopropyl-1,3,4-thiadiazole
CID 133406355
4-[1-(3-methoxypyrazin-2-yl)piperidin-4-yl]oxybenzonitrile
CID 167837684
2-(azepan-1-yl)-5-cyclopropyl-1,3,4-thiadiazole
CID 133365790
2-[[1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]methoxy]pyridine-3-carbonitrile
CID 126873681
4-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]benzonitrile
CID 143692391
4-[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]oxybenzonitrile
CID 75482879
4-[1-[(1S,6R)-bicyclo[4.1.0]heptane-7-carbonyl]piperidin-4-yl]oxybenzonitrile
CID 95907426
4-[4-(1-acetylpiperidin-4-yl)oxyphenyl]benzonitrile
CID 24732829
N-[1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]pyrimidin-4-amine
CID 126887241
2-[4-(2-chlorophenyl)piperazin-1-yl]-5-cyclopropyl-1,3,4-thiadiazole
CID 133381827
4-[4-(4-cyanophenoxy)cyclohexyl]oxypiperidine-1-carboxylic acid
CID 71224929
2-cyclopropyl-5-[4-[(3-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]-1,3,4-thiadiazole
CID 126872877

Frequently Asked Questions

What is the IUPAC name of 4-[1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]oxybenzonitrile?
The IUPAC name of 4-[1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]oxybenzonitrile (CID 71968120) is 4-[1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]oxybenzonitrile.
What is the SMILES notation for 4-[1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]oxybenzonitrile?
The canonical SMILES for 4-[1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]oxybenzonitrile is N#Cc1ccc(OC2CCN(c3nnc(C4CC4)s3)CC2)cc1.
What is the InChIKey of 4-[1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]oxybenzonitrile?
The InChIKey is VKSDJCHLDGCYEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4OS/c18-11-12-1-5-14(6-2-12)22-15-7-9-21(10-8-15)17-20-19-16(23-17)13-3-4-13/h1-2,5-6,13,15H,3-4,7-10H2.
What are the key properties of 4-[1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]oxybenzonitrile?
4-[1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]oxybenzonitrile has a molecular weight of 326.42 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]oxybenzonitrile is sourced from PubChem (CID 71968120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).