N-(1,3-benzothiazol-2-yl)-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide

C17H16F3N5O2S — CID 90542176

IUPACN-(1,3-benzothiazol-2-yl)-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide
SMILESO=C(CN1CCC(c2nnc(C(F)(F)F)o2)CC1)Nc1nc2ccccc2s1
InChIInChI=1S/C17H16F3N5O2S/c18-17(19,20)15-24-23-14(27-15)10-5-7-25(8-6-10)9-13(26)22-16-21-11-3-1-2-4-12(11)28-16/h1-4,10H,5-9H2,(H,21,22,26)
InChIKeyDUWJKJPALRMGNT-UHFFFAOYSA-N
MW411.41 g/mol
LogP3.52
Rot. Bonds4

About N-(1,3-benzothiazol-2-yl)-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide

N-(1,3-benzothiazol-2-yl)-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide (PubChem CID 90542176) has the molecular formula C17H16F3N5O2S and a molecular weight of 411.41 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide
PubChem CID90542176
Molecular FormulaC17H16F3N5O2S
Molecular Weight411.41 g/mol
Exact Mass411.10
IUPAC NameN-(1,3-benzothiazol-2-yl)-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide
SMILESO=C(CN1CCC(c2nnc(C(F)(F)F)o2)CC1)Nc1nc2ccccc2s1
InChIInChI=1S/C17H16F3N5O2S/c18-17(19,20)15-24-23-14(27-15)10-5-7-25(8-6-10)9-13(26)22-16-21-11-3-1-2-4-12(11)28-16/h1-4,10H,5-9H2,(H,21,22,26)
InChIKeyDUWJKJPALRMGNT-UHFFFAOYSA-N
XLogP3.52
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.41
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide (CID 90542176) is N-(1,3-benzothiazol-2-yl)-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide is O=C(CN1CCC(c2nnc(C(F)(F)F)o2)CC1)Nc1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide?
The InChIKey is DUWJKJPALRMGNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N5O2S/c18-17(19,20)15-24-23-14(27-15)10-5-7-25(8-6-10)9-13(26)22-16-21-11-3-1-2-4-12(11)28-16/h1-4,10H,5-9H2,(H,21,22,26).
What are the key properties of N-(1,3-benzothiazol-2-yl)-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide?
N-(1,3-benzothiazol-2-yl)-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide has a molecular weight of 411.41 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide is sourced from PubChem (CID 90542176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).