2-cyclopropyl-5-[1-(6-methylsulfanyl-1,3-benzothiazol-2-yl)piperidin-4-yl]-1,3,4-oxadiazole

C18H20N4OS2 — CID 163344823

IUPAC2-cyclopropyl-5-[1-(6-methylsulfanyl-1,3-benzothiazol-2-yl)piperidin-4-yl]-1,3,4-oxadiazole
SMILESCSc1ccc2nc(N3CCC(c4nnc(C5CC5)o4)CC3)sc2c1
InChIInChI=1S/C18H20N4OS2/c1-24-13-4-5-14-15(10-13)25-18(19-14)22-8-6-12(7-9-22)17-21-20-16(23-17)11-2-3-11/h4-5,10-12H,2-3,6-9H2,1H3
InChIKeyAQELWNXYVDYSJH-UHFFFAOYSA-N
MW372.52 g/mol
LogP4.66
Rot. Bonds4

About 2-cyclopropyl-5-[1-(6-methylsulfanyl-1,3-benzothiazol-2-yl)piperidin-4-yl]-1,3,4-oxadiazole

2-cyclopropyl-5-[1-(6-methylsulfanyl-1,3-benzothiazol-2-yl)piperidin-4-yl]-1,3,4-oxadiazole (PubChem CID 163344823) has the molecular formula C18H20N4OS2 and a molecular weight of 372.52 g/mol. Its IUPAC name is 2-cyclopropyl-5-[1-(6-methylsulfanyl-1,3-benzothiazol-2-yl)piperidin-4-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-cyclopropyl-5-[1-(6-methylsulfanyl-1,3-benzothiazol-2-yl)piperidin-4-yl]-1,3,4-oxadiazole
PubChem CID163344823
Molecular FormulaC18H20N4OS2
Molecular Weight372.52 g/mol
Exact Mass372.11
IUPAC Name2-cyclopropyl-5-[1-(6-methylsulfanyl-1,3-benzothiazol-2-yl)piperidin-4-yl]-1,3,4-oxadiazole
SMILESCSc1ccc2nc(N3CCC(c4nnc(C5CC5)o4)CC3)sc2c1
InChIInChI=1S/C18H20N4OS2/c1-24-13-4-5-14-15(10-13)25-18(19-14)22-8-6-12(7-9-22)17-21-20-16(23-17)11-2-3-11/h4-5,10-12H,2-3,6-9H2,1H3
InChIKeyAQELWNXYVDYSJH-UHFFFAOYSA-N
XLogP4.66
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.52
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-cyclopropyl-5-[1-(6-methylsulfanyl-1,3-benzothiazol-2-yl)piperidin-4-yl]-1,3,4-oxadiazole with MolForge

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Launch Full Analysis

Related Compounds

2-cyclopropyl-5-[1-(6-fluoro-1,3-benzothiazol-2-yl)piperidin-4-yl]-1,3,4-oxadiazole
CID 155975029
2-[1-(6-methylsulfanyl-1,3-benzothiazol-2-yl)piperidin-4-yl]propan-2-ol
CID 172893504
4-cyclopropyl-2-[4-(6-methylsulfanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-1H-pyrimidin-6-one
CID 163357375
2-[3-(difluoromethyl)azetidin-1-yl]-6-methylsulfanyl-1,3-benzothiazole
CID 171327048
(3-fluorophenyl)-[4-(6-methylsulfanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone
CID 8702667
6-methylsulfanyl-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)-1,3-benzothiazole
CID 16938008
2-[1-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)piperidin-4-yl]-5-cyclopropyl-1,3,4-oxadiazole
CID 155975143
3-[4-(6-methylsulfanyl-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]chromen-2-one
CID 25320022
(3-bromophenyl)-[4-(6-methylsulfanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone
CID 25319983
2-(1,3-benzodioxol-5-yl)-1-[4-(6-methylsulfanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone
CID 41108762
2-[1-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-5-cyclopropyl-1,3,4-oxadiazole
CID 163345039
6-methylsulfanyl-2-piperidin-4-yl-1,3-benzothiazole
CID 84639586

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-[1-(6-methylsulfanyl-1,3-benzothiazol-2-yl)piperidin-4-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-cyclopropyl-5-[1-(6-methylsulfanyl-1,3-benzothiazol-2-yl)piperidin-4-yl]-1,3,4-oxadiazole (CID 163344823) is 2-cyclopropyl-5-[1-(6-methylsulfanyl-1,3-benzothiazol-2-yl)piperidin-4-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-cyclopropyl-5-[1-(6-methylsulfanyl-1,3-benzothiazol-2-yl)piperidin-4-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-cyclopropyl-5-[1-(6-methylsulfanyl-1,3-benzothiazol-2-yl)piperidin-4-yl]-1,3,4-oxadiazole is CSc1ccc2nc(N3CCC(c4nnc(C5CC5)o4)CC3)sc2c1.
What is the InChIKey of 2-cyclopropyl-5-[1-(6-methylsulfanyl-1,3-benzothiazol-2-yl)piperidin-4-yl]-1,3,4-oxadiazole?
The InChIKey is AQELWNXYVDYSJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4OS2/c1-24-13-4-5-14-15(10-13)25-18(19-14)22-8-6-12(7-9-22)17-21-20-16(23-17)11-2-3-11/h4-5,10-12H,2-3,6-9H2,1H3.
What are the key properties of 2-cyclopropyl-5-[1-(6-methylsulfanyl-1,3-benzothiazol-2-yl)piperidin-4-yl]-1,3,4-oxadiazole?
2-cyclopropyl-5-[1-(6-methylsulfanyl-1,3-benzothiazol-2-yl)piperidin-4-yl]-1,3,4-oxadiazole has a molecular weight of 372.52 g/mol, XLogP of 4.66, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-[1-(6-methylsulfanyl-1,3-benzothiazol-2-yl)piperidin-4-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 163344823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).