N-(6-methyl-1,3-benzothiazol-2-yl)-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide

C18H18F3N5O2S — CID 90542177

IUPACN-(6-methyl-1,3-benzothiazol-2-yl)-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide
SMILESCc1ccc2nc(NC(=O)CN3CCC(c4nnc(C(F)(F)F)o4)CC3)sc2c1
InChIInChI=1S/C18H18F3N5O2S/c1-10-2-3-12-13(8-10)29-17(22-12)23-14(27)9-26-6-4-11(5-7-26)15-24-25-16(28-15)18(19,20)21/h2-3,8,11H,4-7,9H2,1H3,(H,22,23,27)
InChIKeyNMLWEFUSSIDCJB-UHFFFAOYSA-N
MW425.44 g/mol
LogP3.82
Rot. Bonds4

About N-(6-methyl-1,3-benzothiazol-2-yl)-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide

N-(6-methyl-1,3-benzothiazol-2-yl)-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide (PubChem CID 90542177) has the molecular formula C18H18F3N5O2S and a molecular weight of 425.44 g/mol. Its IUPAC name is N-(6-methyl-1,3-benzothiazol-2-yl)-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(6-methyl-1,3-benzothiazol-2-yl)-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide
PubChem CID90542177
Molecular FormulaC18H18F3N5O2S
Molecular Weight425.44 g/mol
Exact Mass425.11
IUPAC NameN-(6-methyl-1,3-benzothiazol-2-yl)-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide
SMILESCc1ccc2nc(NC(=O)CN3CCC(c4nnc(C(F)(F)F)o4)CC3)sc2c1
InChIInChI=1S/C18H18F3N5O2S/c1-10-2-3-12-13(8-10)29-17(22-12)23-14(27)9-26-6-4-11(5-7-26)15-24-25-16(28-15)18(19,20)21/h2-3,8,11H,4-7,9H2,1H3,(H,22,23,27)
InChIKeyNMLWEFUSSIDCJB-UHFFFAOYSA-N
XLogP3.82
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.44
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-1,3-benzothiazol-2-yl)-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide?
The IUPAC name of N-(6-methyl-1,3-benzothiazol-2-yl)-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide (CID 90542177) is N-(6-methyl-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-(6-methyl-1,3-benzothiazol-2-yl)-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide?
The canonical SMILES for N-(6-methyl-1,3-benzothiazol-2-yl)-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide is Cc1ccc2nc(NC(=O)CN3CCC(c4nnc(C(F)(F)F)o4)CC3)sc2c1.
What is the InChIKey of N-(6-methyl-1,3-benzothiazol-2-yl)-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide?
The InChIKey is NMLWEFUSSIDCJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N5O2S/c1-10-2-3-12-13(8-10)29-17(22-12)23-14(27)9-26-6-4-11(5-7-26)15-24-25-16(28-15)18(19,20)21/h2-3,8,11H,4-7,9H2,1H3,(H,22,23,27).
What are the key properties of N-(6-methyl-1,3-benzothiazol-2-yl)-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide?
N-(6-methyl-1,3-benzothiazol-2-yl)-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide has a molecular weight of 425.44 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-1,3-benzothiazol-2-yl)-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide is sourced from PubChem (CID 90542177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).