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

C14H20N4OS — CID 126899369

IUPAC1-[1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]pyrrolidin-2-one
SMILESO=C1CCCN1C1CCN(c2nnc(C3CC3)s2)CC1
InChIInChI=1S/C14H20N4OS/c19-12-2-1-7-18(12)11-5-8-17(9-6-11)14-16-15-13(20-14)10-3-4-10/h10-11H,1-9H2
InChIKeyLWASFBNSMVVLEY-UHFFFAOYSA-N
MW292.41 g/mol
LogP2.01
Rot. Bonds3

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

1-[1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]pyrrolidin-2-one (PubChem CID 126899369) has the molecular formula C14H20N4OS and a molecular weight of 292.41 g/mol. Its IUPAC name is 1-[1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]pyrrolidin-2-one
PubChem CID126899369
Molecular FormulaC14H20N4OS
Molecular Weight292.41 g/mol
Exact Mass292.14
IUPAC Name1-[1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]pyrrolidin-2-one
SMILESO=C1CCCN1C1CCN(c2nnc(C3CC3)s2)CC1
InChIInChI=1S/C14H20N4OS/c19-12-2-1-7-18(12)11-5-8-17(9-6-11)14-16-15-13(20-14)10-3-4-10/h10-11H,1-9H2
InChIKeyLWASFBNSMVVLEY-UHFFFAOYSA-N
XLogP2.01
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(azepan-1-yl)-5-cyclopropyl-1,3,4-thiadiazole
CID 133365790
1-cyclodecylpyrrolidin-2-one
CID 138507623
1-[1-(3-phenyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]pyrrolidin-2-one
CID 123480114
azane;1-cyclohexylpyrrolidin-2-one
CID 172723863
2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
CID 11789283
(8aR)-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
CID 11051727
1-[4-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]-2-methylpropan-1-one
CID 108729682
1-[1-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]pyrrolidin-2-one
CID 126899475
4-(2-oxopyrrolidin-1-yl)azepane-1-carboxamide
CID 146082370
(10aS)-2,3,6,7,8,9,10,10a-octahydro-1H-pyrrolo[1,2-a]azocin-5-one
CID 86313694
1-azabicyclo[5.5.0]dodecan-2-one
CID 11063030
(2S,5R)-6-hydroxy-2-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)-1,6-diazabicyclo[3.2.1]octan-7-one
CID 160772706

Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]pyrrolidin-2-one?
The IUPAC name of 1-[1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]pyrrolidin-2-one (CID 126899369) is 1-[1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]pyrrolidin-2-one is O=C1CCCN1C1CCN(c2nnc(C3CC3)s2)CC1.
What is the InChIKey of 1-[1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]pyrrolidin-2-one?
The InChIKey is LWASFBNSMVVLEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4OS/c19-12-2-1-7-18(12)11-5-8-17(9-6-11)14-16-15-13(20-14)10-3-4-10/h10-11H,1-9H2.
What are the key properties of 1-[1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]pyrrolidin-2-one?
1-[1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]pyrrolidin-2-one has a molecular weight of 292.41 g/mol, XLogP of 2.01, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]pyrrolidin-2-one is sourced from PubChem (CID 126899369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).