1,3-benzothiazol-2-yl-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone

C19H16N4O2S2 — CID 71793013

IUPAC1,3-benzothiazol-2-yl-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
SMILESO=C(c1nc2ccccc2s1)N1CCC(c2nnc(-c3ccsc3)o2)CC1
InChIInChI=1S/C19H16N4O2S2/c24-19(18-20-14-3-1-2-4-15(14)27-18)23-8-5-12(6-9-23)16-21-22-17(25-16)13-7-10-26-11-13/h1-4,7,10-12H,5-6,8-9H2
InChIKeyHZYMBXUIDUBZCJ-UHFFFAOYSA-N
MW396.50 g/mol
LogP4.43
Rot. Bonds3

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

1,3-benzothiazol-2-yl-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone (PubChem CID 71793013) has the molecular formula C19H16N4O2S2 and a molecular weight of 396.50 g/mol. Its IUPAC name is 1,3-benzothiazol-2-yl-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name1,3-benzothiazol-2-yl-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
PubChem CID71793013
Molecular FormulaC19H16N4O2S2
Molecular Weight396.50 g/mol
Exact Mass396.07
IUPAC Name1,3-benzothiazol-2-yl-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
SMILESO=C(c1nc2ccccc2s1)N1CCC(c2nnc(-c3ccsc3)o2)CC1
InChIInChI=1S/C19H16N4O2S2/c24-19(18-20-14-3-1-2-4-15(14)27-18)23-8-5-12(6-9-23)16-21-22-17(25-16)13-7-10-26-11-13/h1-4,7,10-12H,5-6,8-9H2
InChIKeyHZYMBXUIDUBZCJ-UHFFFAOYSA-N
XLogP4.43
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.50
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1,3-benzothiazol-2-yl-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone?
The IUPAC name of 1,3-benzothiazol-2-yl-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone (CID 71793013) is 1,3-benzothiazol-2-yl-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for 1,3-benzothiazol-2-yl-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for 1,3-benzothiazol-2-yl-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone is O=C(c1nc2ccccc2s1)N1CCC(c2nnc(-c3ccsc3)o2)CC1.
What is the InChIKey of 1,3-benzothiazol-2-yl-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone?
The InChIKey is HZYMBXUIDUBZCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2S2/c24-19(18-20-14-3-1-2-4-15(14)27-18)23-8-5-12(6-9-23)16-21-22-17(25-16)13-7-10-26-11-13/h1-4,7,10-12H,5-6,8-9H2.
What are the key properties of 1,3-benzothiazol-2-yl-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone?
1,3-benzothiazol-2-yl-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone has a molecular weight of 396.50 g/mol, XLogP of 4.43, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzothiazol-2-yl-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 71793013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).