2-[[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]-5-ethyl-1,3,4-oxadiazole

C17H20N4OS — CID 18131385

IUPAC2-[[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]-5-ethyl-1,3,4-oxadiazole
SMILESCCc1nnc(CN2CCC(c3nc4ccccc4s3)CC2)o1
InChIInChI=1S/C17H20N4OS/c1-2-15-19-20-16(22-15)11-21-9-7-12(8-10-21)17-18-13-5-3-4-6-14(13)23-17/h3-6,12H,2,7-11H2,1H3
InChIKeyMSGDPIGCTKUVHZ-UHFFFAOYSA-N
MW328.44 g/mol
LogP3.62
Rot. Bonds4

About 2-[[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]-5-ethyl-1,3,4-oxadiazole

2-[[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]-5-ethyl-1,3,4-oxadiazole (PubChem CID 18131385) has the molecular formula C17H20N4OS and a molecular weight of 328.44 g/mol. Its IUPAC name is 2-[[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]-5-ethyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]-5-ethyl-1,3,4-oxadiazole
PubChem CID18131385
Molecular FormulaC17H20N4OS
Molecular Weight328.44 g/mol
Exact Mass328.14
IUPAC Name2-[[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]-5-ethyl-1,3,4-oxadiazole
SMILESCCc1nnc(CN2CCC(c3nc4ccccc4s3)CC2)o1
InChIInChI=1S/C17H20N4OS/c1-2-15-19-20-16(22-15)11-21-9-7-12(8-10-21)17-18-13-5-3-4-6-14(13)23-17/h3-6,12H,2,7-11H2,1H3
InChIKeyMSGDPIGCTKUVHZ-UHFFFAOYSA-N
XLogP3.62
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]-5-ethyl-1,3,4-oxadiazole?
The IUPAC name of 2-[[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]-5-ethyl-1,3,4-oxadiazole (CID 18131385) is 2-[[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]-5-ethyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]-5-ethyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]-5-ethyl-1,3,4-oxadiazole is CCc1nnc(CN2CCC(c3nc4ccccc4s3)CC2)o1.
What is the InChIKey of 2-[[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]-5-ethyl-1,3,4-oxadiazole?
The InChIKey is MSGDPIGCTKUVHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4OS/c1-2-15-19-20-16(22-15)11-21-9-7-12(8-10-21)17-18-13-5-3-4-6-14(13)23-17/h3-6,12H,2,7-11H2,1H3.
What are the key properties of 2-[[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]-5-ethyl-1,3,4-oxadiazole?
2-[[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]-5-ethyl-1,3,4-oxadiazole has a molecular weight of 328.44 g/mol, XLogP of 3.62, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]-5-ethyl-1,3,4-oxadiazole is sourced from PubChem (CID 18131385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).