1-[5-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine

C18H21N5OS — CID 120862248

IUPAC1-[5-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
SMILESNC1(c2noc(C3CCN(c4nc5ccccc5s4)CC3)n2)CCC1
InChIInChI=1S/C18H21N5OS/c19-18(8-3-9-18)16-21-15(24-22-16)12-6-10-23(11-7-12)17-20-13-4-1-2-5-14(13)25-17/h1-2,4-5,12H,3,6-11,19H2
InChIKeyBAQMCIWMZWSAEE-UHFFFAOYSA-N
MW355.47 g/mol
LogP3.40
Rot. Bonds3

About 1-[5-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine

1-[5-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine (PubChem CID 120862248) has the molecular formula C18H21N5OS and a molecular weight of 355.47 g/mol. Its IUPAC name is 1-[5-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine.

Molecular Properties

Compound Name1-[5-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
PubChem CID120862248
Molecular FormulaC18H21N5OS
Molecular Weight355.47 g/mol
Exact Mass355.15
IUPAC Name1-[5-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
SMILESNC1(c2noc(C3CCN(c4nc5ccccc5s4)CC3)n2)CCC1
InChIInChI=1S/C18H21N5OS/c19-18(8-3-9-18)16-21-15(24-22-16)12-6-10-23(11-7-12)17-20-13-4-1-2-5-14(13)25-17/h1-2,4-5,12H,3,6-11,19H2
InChIKeyBAQMCIWMZWSAEE-UHFFFAOYSA-N
XLogP3.40
TPSA81.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.47
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[5-(4-phenylcyclohexyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120860751
[4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-phenylmethanone
CID 120852061
2-[4-(2,3,4,5,6-pentafluorophenyl)piperidin-1-yl]-1,3-benzothiazole
CID 175245982
4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-N-phenylpiperidine-1-carboxamide;hydrochloride
CID 120853046
1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)cyclopropan-1-amine;hydrochloride
CID 67390539
[4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(furan-3-yl)methanone;hydrochloride
CID 120861983
[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 46808360
1-(1,3-benzothiazol-2-yl)pyrrolidin-3-amine
CID 62068037
1-[4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-methylpropan-1-one;hydrochloride
CID 120859549
(3S)-3-[4-(1,3-benzothiazol-2-yl)piperazin-1-ium-1-yl]pyrrolidine-2,5-dione
CID 7325990
4-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]morpholine
CID 171691387
3-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]propanoic acid
CID 62215979

Frequently Asked Questions

What is the IUPAC name of 1-[5-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine?
The IUPAC name of 1-[5-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine (CID 120862248) is 1-[5-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine.
What is the SMILES notation for 1-[5-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine?
The canonical SMILES for 1-[5-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine is NC1(c2noc(C3CCN(c4nc5ccccc5s4)CC3)n2)CCC1.
What is the InChIKey of 1-[5-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine?
The InChIKey is BAQMCIWMZWSAEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5OS/c19-18(8-3-9-18)16-21-15(24-22-16)12-6-10-23(11-7-12)17-20-13-4-1-2-5-14(13)25-17/h1-2,4-5,12H,3,6-11,19H2.
What are the key properties of 1-[5-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine?
1-[5-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine has a molecular weight of 355.47 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine is sourced from PubChem (CID 120862248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).