2-[1-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-5-cyclopropyl-1,3,4-oxadiazole

C18H19ClN4O2S — CID 163345039

IUPAC2-[1-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-5-cyclopropyl-1,3,4-oxadiazole
SMILESCOc1ccc(Cl)c2sc(N3CCC(c4nnc(C5CC5)o4)CC3)nc12
InChIInChI=1S/C18H19ClN4O2S/c1-24-13-5-4-12(19)15-14(13)20-18(26-15)23-8-6-11(7-9-23)17-22-21-16(25-17)10-2-3-10/h4-5,10-11H,2-3,6-9H2,1H3
InChIKeyIKXZXXIUSNPINA-UHFFFAOYSA-N
MW390.90 g/mol
LogP4.60
Rot. Bonds4

About 2-[1-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-5-cyclopropyl-1,3,4-oxadiazole

2-[1-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-5-cyclopropyl-1,3,4-oxadiazole (PubChem CID 163345039) has the molecular formula C18H19ClN4O2S and a molecular weight of 390.90 g/mol. Its IUPAC name is 2-[1-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-5-cyclopropyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[1-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-5-cyclopropyl-1,3,4-oxadiazole
PubChem CID163345039
Molecular FormulaC18H19ClN4O2S
Molecular Weight390.90 g/mol
Exact Mass390.09
IUPAC Name2-[1-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-5-cyclopropyl-1,3,4-oxadiazole
SMILESCOc1ccc(Cl)c2sc(N3CCC(c4nnc(C5CC5)o4)CC3)nc12
InChIInChI=1S/C18H19ClN4O2S/c1-24-13-5-4-12(19)15-14(13)20-18(26-15)23-8-6-11(7-9-23)17-22-21-16(25-17)10-2-3-10/h4-5,10-11H,2-3,6-9H2,1H3
InChIKeyIKXZXXIUSNPINA-UHFFFAOYSA-N
XLogP4.60
TPSA64.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.90
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-5-cyclopropyl-1,3,4-oxadiazole?
The IUPAC name of 2-[1-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-5-cyclopropyl-1,3,4-oxadiazole (CID 163345039) is 2-[1-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-5-cyclopropyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[1-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-5-cyclopropyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[1-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-5-cyclopropyl-1,3,4-oxadiazole is COc1ccc(Cl)c2sc(N3CCC(c4nnc(C5CC5)o4)CC3)nc12.
What is the InChIKey of 2-[1-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-5-cyclopropyl-1,3,4-oxadiazole?
The InChIKey is IKXZXXIUSNPINA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O2S/c1-24-13-5-4-12(19)15-14(13)20-18(26-15)23-8-6-11(7-9-23)17-22-21-16(25-17)10-2-3-10/h4-5,10-11H,2-3,6-9H2,1H3.
What are the key properties of 2-[1-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-5-cyclopropyl-1,3,4-oxadiazole?
2-[1-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-5-cyclopropyl-1,3,4-oxadiazole has a molecular weight of 390.90 g/mol, XLogP of 4.60, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-5-cyclopropyl-1,3,4-oxadiazole is sourced from PubChem (CID 163345039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).